Vanillin

Description

Vanillin is a phenolic aldehyde, which is an organic compound with the molecular formula C8H8O3. Its functional groups include aldehyde, hydroxyl, and ether. It is the primary component of the extract of the vanilla bean. Synthetic vanillin is now used more often than natural vanilla extract as a flavoring agent in foods, beverages, and pharmaceuticals.
Vanillin and ethylvanillin are used by the food industry; ethylvanillin is more expensive, but has a stronger note. It differs from vanillin by having an ethoxy group (–O–CH2CH3) instead of a methoxy group (–O–CH3).
Natural "vanilla extract" is a mixture of several hundred different compounds in addition to vanillin. Artificial vanilla flavoring is often a solution of pure vanillin, usually of synthetic origin. Because of the scarcity and expense of natural vanilla extract, synthetic preparation of its predominant component has long been of interest. The first commercial synthesis of vanillin began with the more readily available natural compound eugenol. Today, artificial vanillin is made either from guaiacol or lignin.
Lignin-based artificial vanilla flavoring is alleged to have a richer flavor profile than oil-based flavoring; the difference is due to the presence of acetovanillone, a minor component in the lignin-derived product that is not found in vanillin synthesized from guaiacol.

Basic Info

Chemical Name	Vanillin
Synonyms	Rhovanil; Vinillin; 4-Hydroxy-3-methoxybenzaldehyde; 3-methoxy-4-hydroxy-benzaldehyde; Vanilin; FEMA 3107; Zimco; VANILLA; Reference source: Negwer; Benzaldehyde, 4-hydroxy-3-methoxy-; Methyl vanillin; Vanillin (contains H2SO4) Ethanol; 4-oxy-3-methoxybenzaldehyde; Vanillin; Lioxin; VANILLINE; Vanillic aldehyde; compound no 1131; Expand
CAS No.	121-33-5
Molecular Formula	C8H8O3
Molecular Weight	152.14700
PSA	46.53000
LogP	1.21330

Numbering system

EINECS number	204-465-2
BRN number	472792
RTECS number	YW5775000
MDL number	MFCD00006942
PubChem number	24901469

Properties

Appearance & Physical State	White crystals or slightly yellow needles with vanilla, sweet, balsamic and pleasant odor
Density	1.06
Boiling Point	170ºC (15 mmHg)
Melting Point	81-84ºC
Flash Point	147ºC
Refractive Index	1.555
Water Solubility	10 g/L (25 ºC)
Soluble	soluble in ether, chloroform, acetic acid
Stability	Stable. May discolour on exposure to light. Moisture-sensitive. Incompatible with strong oxidizing agents, perchloric acid.
Storage Condition	Store in a cool, dry place. Store protected from moisture. Store protected from light.
Vapor Density	5.3 (vs air)
Vapor Pressure	>0.01 mm Hg ( 25 °C)

Safety Info

RTECS	YW5775000
Safety Statements	S22-S24/25
HS Code	2912410000
WGK Germany	1
Risk Statements	R22
Hazard Codes	Xn

Synthesis Route

Total 255 Documents >>

: 67-56-1
Methanol

: 9005-53-2
Lignin

: 3943-74-6
methyl vanillate

: 121-33-5
Vanillin

Detail>>

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MSDS

Total 2 Documents >>

SDS 1.0 Expand

SDS 1.0

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1.Identification

1.1 GHS Product identifier

Product name	Vanillin

1.2 Other means of identification

Product number	-
Other names	4-Hydroxy-3-methoxybenzaldehyde,Vanillic aldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

Company	MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address	Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road, Xuhui District, Shanghai, China
Telephone	+86(21)64956998
Fax	+86(21)54365166

1.5 Emergency phone number

Emergency phone number	+86-400-6021-666
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name	Common names and synonyms	CAS number	EC number	Concentration
Vanillin	Vanillin	121-33-5	none	100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state	White or very slightly yellow needles
Colour	no data available
Odour	no data available
Melting point/ freezing point	-2°C(lit.)
Boiling point or initial boiling point and boiling range	284°C(lit.)
Flammability	no data available
Lower and upper explosion limit / flammability limit	no data available
Flash point	99°C(lit.)
Auto-ignition temperature	no data available
Decomposition temperature	no data available
pH	no data available
Kinematic viscosity	no data available
Solubility	In water:10 g/L (25 ºC)
Partition coefficient n-octanol/water (log value)	no data available
Vapour pressure	>0.01 mm Hg ( 25 °C)
Density and/or relative density	1.06
Relative vapour density	5.3 (vs air)
Particle characteristics	no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

Oral: no data available
Inhalation: no data available
Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

Toxicity to fish: no data available
Toxicity to daphnia and other aquatic invertebrates: no data available
Toxicity to algae: no data available
Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2810

IMDG: UN2810

IATA: UN2810

14.2 UN Proper Shipping Name

ADR/RID: TOXIC LIQUID, ORGANIC, N.O.S.

IMDG: TOXIC LIQUID, ORGANIC, N.O.S.

IATA: TOXIC LIQUID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1

IMDG: 6.1

IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II

IMDG: II

IATA: II

14.5 Environmental hazards

ADR/RID: no

IMDG: no

IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name	Common names and synonyms	CAS number	EC number
Vanillin	Vanillin	121-33-5	none
European Inventory of Existing Commercial Chemical Substances (EINECS)			Listed.
EC Inventory			Listed.
United States Toxic Substances Control Act (TSCA) Inventory			Listed.
China Catalog of Hazardous chemicals 2015			Not Listed.
New Zealand Inventory of Chemicals (NZIoC)			Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS)			Listed.
Vietnam National Chemical Inventory			Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC)			Listed.

16.Other information

Information on revision

Creation Date	Aug 10, 2017
Revision Date	Aug 10, 2017

Abbreviations and acronyms

CAS: Chemical Abstracts Service
ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
IMDG: International Maritime Dangerous Goods
IATA: International Air Transportation Association
TWA: Time Weighted Average
STEL: Short term exposure limit
LC50: Lethal Concentration 50%
LD50: Lethal Dose 50%
EC50: Effective Concentration 50%

References

IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS Expand

MSDS

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Name:	Vanillin Material Safety Data Sheet
Synonym:	Vanilla; Vanillaldehyde; 4-Hydroxy-m-anisaldehyde; 4-Hydroxy-3-methoxy-benzaldehyde; Lioxin; Methyl-protocatechualdehyde; p-Vanil
CAS:	121-33-5

Section 1 - Chemical Product MSDS Name:Vanillin Material Safety Data Sheet
Synonym:Vanilla; Vanillaldehyde; 4-Hydroxy-m-anisaldehyde; 4-Hydroxy-3-methoxy-benzaldehyde; Lioxin; Methyl-protocatechualdehyde; p-Vanil

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
121-33-5	Vanillin	100	204-465-2

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Light sensitive.Moisture sensitive.
Potential Health Effects
Eye:
Dust may cause mechanical irritation. Low hazard for normal industrial handling.
Skin:
Dust may cause mechanical irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material. Low hazard for usual industrial handling.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
No hazard expected in normal industrial use. Dust is irritating to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid if irritation develops or persists. Wash clothing before reuse. Flush skin with plenty of soap and water.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Treat symptomatically and supportively. Get medical aid if irritation or symptoms occur.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Store protected from light.
Storage:
Store in a cool, dry place. Store protected from moisture. Store protected from light.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 121-33-5: Russia: 1.5 mg/m3 TWA Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: very slightly yellow
Odor: vanilla-like
pH: Not available.
Vapor Pressure: 1 mm Hg @ 107 deg C
Viscosity: Not applicable.
Boiling Point: 285 deg C
Freezing/Melting Point: 81-83 deg C
Autoignition Temperature: Not available.
Flash Point: 147 deg C ( 296.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not applicable.
Solubility in water: Slightly soluble in water.
Specific Gravity/Density: 1.05
Molecular Formula: C8H8O3
Molecular Weight: 152.0542

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, light, air, strong reducing agents, moisture, bromine, perchloric acid, potassium t-butoxide, t-chlorobenzene and sodium hydroxide, formic acid and thallium nitrate.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 121-33-5: YW5775000 LD50/LC50:
CAS# 121-33-5: Oral, mouse: LD50 = 3925 mg/kg; Oral, mouse: LD50 = 1480 mg/kg; Oral, rat: LD50 = 1580 mg/kg; Skin, rabbit: LD50 = >5010 mg/kg.
Carcinogenicity:
Vanillin - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 121-33-5: No information available.
Canada
CAS# 121-33-5 is listed on Canada's DSL List.
CAS# 121-33-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 121-33-5 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

Total 3 Documents >>

1H NMR : PredictExpand: NMR Spectrum 1H NMR : Predict
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Toxicity

Total 8 Documents >>

Exposure Route	Type of Test	Species Observed	Dose/Duration	Toxic Effects
Oral	LD50 - Lethal dose, 50 percent kill	Rodent - rat	1580 mg/kg	1.Behavioral-coma
Inhalation	LC - Lethal concentration	Rodent - rat	>41700 ug/kg/4H	1.Details of toxic effects not reported other than lethal dose value
Oral	TDLo - Lowest published toxic dose	Rodent - rat	4480 mg/kg/70D-I	1.Cardiac-other changes 2.Blood-changes in spleen 3.Nutritional and Gross Metabolic-weight loss or decreased weight gain