628-63-7 structure, C7H14O2
pentyl acetate
CAS No.: 628-63-7 Formula: C7H14O2 Molecular Weight: 130.18500
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pentyl acetate

CAS No.:

628-63-7

Formula:

C7H14O2

Molecular Weight: 130.18500
Suppliers: All (41) China Suppliers (41) Price Available (8) Contractor (1)

Description

Amyl acetate (pentyl acetate) is an organic compound and an ester with the chemical formula CH3COO[CH2]4CH3 and the molecular weight 130.19 g/mol. It has a scent similar to bananas and apples. The compound is the condensation product of acetic acid and 1-pentanol. However, esters formed from other pentanol isomers (amyl alcohols), or mixtures of pentanols, are often referred to as amyl acetate.
It is used as a flavoring agent, as a paint and lacquer solvent, and in the preparation of penicillin.

Basic Info

Chemical Name

pentyl acetate

Synonyms

n-Amyl acetate; Acetic acid, pentyl ester; Acetic acid pentyl ester; Birnenoel; 1-Pentyl acetate; Amyl acetate; Pent-acetate; anhydrous amyl acetate; Expand

CAS No.

628-63-7

Molecular Formula

C7H14O2

Molecular Weight

130.18500

PSA

26.30000

LogP

1.73970

Numbering system

MDL number MFCD00009500
EINECS number 211-047-3

Properties

Appearance & Physical State

colorless liquid

Density

0.876

Boiling Point

149ºC

Melting Point

-70.8ºC

Flash Point

25ºC

Refractive Index

1.401-1.403

Stability

Stable under normal temperatures and pressures.

Storage Condition

Flammables area

Safety Info

Safety Statements

S23-S25

HS Code

29153930

Packing Group

III

RIDADR

UN 1104

Risk Statements

R10; R66

Hazard Codes

Xi

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name pentyl acetate

1.2 Other means of identification

Product number -
Other names n-Amyl acetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fragrances
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

Flammable liquids, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

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
pentyl acetate pentyl acetate 628-63-7 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

Fresh air, rest.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give one or two glasses of water to drink.

4.2 Most important symptoms/effects, acute and delayed

Irritation of eyes, nose and throat. Dizziness, nausea, headache. (USCG, 1999)

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

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Esters and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

To fight fire, use alcohol foam, dry chemical.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

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

Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

1) Remove all ignition sources. 2) Ventilate area of spill or leak. 3) For small quantities, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear ductwork. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected and atomized in a suitable combustion chamber. n-Amyl acetate should not be allowed to enter confined space, such as a sewer, because of the possibility of explosion.

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

Fireproof. Separated from oxidants.Storage temp: ambient (cool)

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10-hour Time-Weighted Average: 100 ppm (525 mg/cu m).

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 colorless liquid
Colour Colorless liquid
Odour Persistent banana-like odor
Melting point/ freezing point 124°C(lit.)
Boiling point or initial boiling point and boiling range 148°C
Flammability Class IC Flammable Liquid: Fl.P. at or above 22.78°C and below 37.78°C.Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.1% by volume; Upper flammable limit: 7.5% by volume
Flash point 45°C(lit.)
Auto-ignition temperature 360°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 1.58 cP at 11°C
Solubility 0.2 % (NIOSH, 2016)
Partition coefficient n-octanol/water (log value) log Kow = 2.30
Vapour pressure 5.17 mm Hg (USCG, 1999)
Density and/or relative density 0.876
Relative vapour density 4.5 (Air = 1)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stability during transport: stable

10.3 Possibility of hazardous reactions

Dangerous fire hazard when exposed to heat or flame ... .The vapour is heavier than air.AMYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids (NIOSH, 2016).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Nitrates; strong oxidizers, alkalis and acids.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat female oral 17250 mg/kg bw /Primary Amyl Acetate (mixed isomers): 65% 1-pentyl acetate and 35% 2-methyl-1-butyl acetate/
  • Inhalation: LC50 Rat male inhalation >5200 ppm (27664 mg/cu m)/4 hr /Primary Amyl Acetate (mixed isomers): 65% 1-pentyl acetate and 35% 2-methyl-1-butyl acetate/
  • 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: LC50; Species: Daphnia magna (Water Flea) age < or =24 hr; Conditions: freshwater, static, 20-22°C; Concentration: 210000 ug/L for 24 hr /formulation
  • Toxicity to algae: LC50; Species: Chlorococcales (Green Algae Order); Conditions: freshwater, static; Concentration: 1300000 ug/L for 24 hr /formulation
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Two screening tests gave 13 and 38% of theoretical BOD values after 5 days(1). The first test used sewage seed and 1.7-20 ppm of n-amyl acetate and the second test used 440 ppm of the chemical and 10% sewage seed(1). In a biodegradability screening test using non-acclimated sewage seed, the 5 day biological oxygen demand value for n-amyl acetate was 64 and 35% theoretical in fresh and salt water(2). After 20 days the respective values were 72 and 87%(2). The degradation kinetics of n-amyl acetate in Lake Superior harbor water was first order(3). When the water was coarsely filtered (suspended solids 5.6 mg/L), the biodegradation half-life was 10.0 days, when the water was finely-filtered (2.5 mg/L suspended solids), the half-life was 4.5 days(3). The increase in rate using finely-filtered water was attributed to the reduced level of suspended solids since the other water characteristics were comparable, no reason was offered for why this might increase the biodegradation rate(3). Using a standard BOD dilution technique and an acclimated mixed culture inoculum, a theoretical BOD of 31% was observed over a 5-day incubation period(4). Using the same test with an activated sludge inoculum, a theoretical BOD of 23% was observed over a 5-day incubation period(5). The theoretical BOD for n-amyl acetate in river water over a 20-day incubation period was 50%(6).

12.3 Bioaccumulative potential

An estimated BCF of 15 was calculated in fish for n-amyl acetate(SRC), using a log Kow of 2.3(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-amyl acetate can be estimated to be 34(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-amyl acetate is expected to have very high mobility in soil.

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: UN1104 IMDG: UN1104 IATA: UN1104

14.2 UN Proper Shipping Name

ADR/RID: AMYL ACETATES
IMDG: AMYL ACETATES
IATA: AMYL ACETATES

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
pentyl acetate pentyl acetate 628-63-7 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 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 12, 2017
Revision Date Aug 12, 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.

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