ChemicalBook--->CAS DataBase List--->140-11-4

140-11-4

140-11-4 Structure

140-11-4 Structure
IdentificationMore
[Name]

Benzyl acetate
[CAS]

140-11-4
[Synonyms]

ACETIC ACID BENZYL ESTER
ACETIC ACID:BENZYL ESTER
BENZYL ACETATE
benzyl ethanoate
FEMA 2135
LABOTEST-BB LT00849692
(Acetoxymethyl)benzene
acetoxymethylbenzene
alpha-Acetoxytoluene
Benzyl ester of acetic acid
Benzylester kyseliny octove
benzylesterkyselinyoctove
NCI-C06508
Phenylmethyl acetate
phenylmethylacetate
Plastolin I
BENZYL ACETATE FFC
Benzul acetate
BENZYL ACETATE 99+% NATURAL FCC
BENZYL ACETATE 99+% FCC
[EINECS(EC#)]

205-399-7
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00008712
[Molecular Weight]

150.17
[MOL File]

140-11-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

-51 °C (lit.)
[Boiling point ]

206 °C (lit.)
[density ]

1.054 g/mL at 25 °C(lit.)
[vapor density ]

5.1
[vapor pressure ]

23 mm Hg ( 110 °C)
[FEMA ]

2135
[refractive index ]

n20/D 1.502(lit.)
[Fp ]

216 °F
[storage temp. ]

-20°C
[solubility ]

≥35.7 mg/mL in EtOH; ≥49.4 mg/mL in DMSO
[form ]

Liquid
[color ]

Colorless liquid
[Odor]

sweet, floral fruity odor
[explosive limit]

0.9-8.4%(V)
[Odor Type]

floral
[Water Solubility ]

<0.1 g/100 mL at 23 ºC
[JECFA Number]

23
[Merck ]

14,1123
[BRN ]

1908121
[Dielectric constant]

5.1(21℃)
[Exposure limits]

ACGIH: TWA 10 ppm
[LogP]

1.96 at 25℃
[CAS DataBase Reference]

140-11-4(CAS DataBase Reference)
[IARC]

3 (Vol. 40, Sup 7, 71) 1999
[NIST Chemistry Reference]

Benzyl ethanoate(140-11-4)
[EPA Substance Registry System]

Benzyl acetate (140-11-4)
Hazard InformationBack Directory
[Chemical Properties]

Benzyl acetate is a colorless liquid with a fruity odor. On burning and decomposition, it produces irritating fumes. Benzyl acetate reacts with strong oxidants causing fi re and explosion hazard
[General Description]

Colorless liquid with an odor of pears.
[Reactivity Profile]

BENZYL ACETATE(140-11-4) 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 chemical is incompatible with strong oxidizing agents. BENZYL ACETATE(140-11-4) is also incompatible with acids, bases and reducing agents.
[Air & Water Reactions]

Insoluble in water.
[Hazard]

A poison by inhalation. Moderately toxic by ingestion. Combustible. Upper respiratory tract irritant. Questionable carcinogen.
[Health Hazard]

Exposures to benzyl acetate cause adverse health effects. The symptoms of toxicity and poisoning include irritation to the skin, eyes, burning sensation, confusion, dizziness, drowsiness, labored breathing, sore throat, nausea, vomiting, and diarrhea. Benzyl acetate also causes adverse health effects to the respiratory tract and the CNS system with neurological effects.
[Health Hazard]

Harmful if inhaled. May be harmful if swallowed or absorbed through the skin. Vapor or mist is irritating to the eyes, mucous membrane and upper respiratory tract.
[Fire Hazard]

This chemical is combustible.
[Physical properties]

Benzyl acetate has a characteristic flowery (jasmine) odor and a bitter, pungent taste. It is the main component of jasmine absolute and gardenia oils. It occurs as a minor component in a large number of other essential oils and extracts. It is a colorless liquid with a strong, fruity, jasmine odor. In terms of volume, benzyl acetate is one of the most important fragrance and flavor chemicals. Although benzyl acetate is present in some essential oils at levels up to 65%, most of the commercial product is of synthetic origin.
[Occurrence]

Present as a main constituent in several oils and flower absolutes: ylang-ylang, cananga, neroli, jasmine, hyacinth, gardenia, tuberose. It has been isolated from the essential oil of the flowers of Loiseleuria procumbens Desv. (azelea). Also reported found in apricot, cooked asparagus, mozzarella cheese, grilled beef, cooked pork, malt whiskey, fresh mango, malt, wort and clams.
[Application]

Benzyl acetate can be used as a high boiling point solvent in coatings, like ink coating, binding agent and paint remover. It is used in soap and other chemical essences and has the effect of promote in floral and fantasy essences in jasmine, white orchid, fragrant plantain lily, gekkakou, narcissus and other essences. It is a plasticizer for ionophore membranes.
[Uses]

Benzyl acetate is used as an artificial jasmine and other perfumes, soap perfume, flavoring agent, solvent for cellulose acetate and nitrate, natural and synthetic resins, oils, lacquers, polishes, printing inks, and varnish removers.
[Uses]

In perfumery, solvent for cellulose acetate and nitrate.
[Definition]

ChEBI: The acetate ester of benzyl alcohol.
[Preparation]

By interaction of benzyl chloride and sodium acetate; by acetylation of benzyl alcohol, or from benzaldehyde and acetic acid with zinc dust.
[Production Methods]

Benzyl acetate is produced by the interaction of benzyl chloride and sodiumacetate, by acetylation of benzyl alcohol, or from benzaldehyde and acetic acid with zinc dust .
[Aroma threshold values]

Detection: 2 to 270 ppb
[Taste threshold values]

Taste characteristics at 40 ppm: sweet and fruity
[Synthesis Reference(s)]

Chemical and Pharmaceutical Bulletin, 35, p. 1608, 1987 DOI: 10.1248/cpb.35.1608
The Journal of Organic Chemistry, 31, p. 2033, 1966 DOI: 10.1021/jo01344a544
Synthetic Communications, 24, p. 1045, 1994 DOI: 10.1080/00397919408020781
[Flammability and Explosibility]

Nonflammable
[Safety Profile]

A poison by inhalation.Moderately toxic by ingestion and subcutaneous routes.Human systemic effects by inhalation: an antipsychotic,unspecified respiratory and urinary system effects.Questionable carcinogen with experimental tumorigenicdata. Combusti
[Carcinogenicity]

Not listed by ACGIH, IARC, NTP, or California Proposition 65.
[Metabolism]

The esters of benzyl alcohol, such as the acetate, benzoate, cinnamate and hydrocinnamate, are rapidly hydrolysed in vivo to benzyl alcohol which is then oxidized to benzoic acid and excreted as hippuric acid
[Purification Methods]

Purify the acetate by fractional distillation, preferably in a good vacuum. Values of n25 of 1.5232-1.5242 are too high and should be nearer to 1.4994. [Merker & Scott J Org Chem 26 5180 1961, Beilstein 6 IV 2262.]
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

1
[RTECS ]

AF5075000
[Autoignition Temperature]

862 °F
[TSCA ]

Yes
[HS Code ]

29153950
[storage]

Benzyl acetate should be kept stored in a cool, dry place with the container closed when not in use.
[Precautions]

Exposures to benzyl acetate far above the OEL may result in unconsciousness. After handling and using benzyl acetate, workers should wash thoroughly and remove contaminated clothing, washing it before reuse. Workers should avoid any kind of contact of benzyl acetate with the eyes, skin, ingestion, and inhalation. Workers should wear safety glasses and chemical goggles to avoid splashing of the chemical substance during work, and wear appropriate protective gloves and clothing to prevent skin exposure
[Hazardous Substances Data]

140-11-4(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 2490 mg/kg (Jenner)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Toluene-->Chlorine-->Sodium acetate-->Calcium chloride-->Benzyl chloride-->Benzyl alcohol-->Isopropyl acetate-->Neroli oil-->Cinnamyl bromide-->benzyl 2-acetyloxybenzoate-->Benzyl salicylate
[Preparation Products]

Acemetacin-->Fosinopril-->S-α-cyano-3-phenoxy benzyl alcohol-->4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLACETONITRILE-->BENZYLBORONIC ACID PINACOL ESTER-->Dimethyl ether
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetic acid benzyl ester(140-11-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Benzyl acetate(140-11-4)MS
Benzyl acetate(140-11-4)1HNMR
Benzyl acetate(140-11-4)13CNMR
Benzyl acetate(140-11-4)IR1
Benzyl acetate(140-11-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzyl acetate, 99+%(140-11-4)
[Alfa Aesar]

Benzyl acetate, 99%(140-11-4)
[Sigma Aldrich]

140-11-4(sigmaaldrich)
[TCI AMERICA]

Benzyl Acetate,>99.0%(GC)(140-11-4)
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