ChemicalBook--->CAS DataBase List--->140-39-6

140-39-6

140-39-6 Structure

140-39-6 Structure
IdentificationMore
[Name]

P-TOLYL ACETATE
[CAS]

140-39-6
[Synonyms]

4-METHYLPHENOL ACETATE
4-METHYL PHENYL ACETATE
4-TOLYL ACETATE
ACETIC ACID 4-METHYLPHENYL ESTER
ACETIC ACID P-CRESYL ESTER
ACETIC ACID P-TOLYL ESTER
FEMA 3073
P-ACETOXYTOLUENE
P-CRESYL ACETATE
P-TOLYL ACETATE
4-Acetoxytoluene
Narceol
Paracresyl acetate
paracresylacetate
p-Cresol acetate
p-cresolacetate
p-cresyl
p-Cresyl acetate fcc
p-Cresylic acetate
p-Methylphenyl acetate
[EINECS(EC#)]

205-413-1
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00008703
[Molecular Weight]

150.17
[MOL File]

140-39-6.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless, oily liquid; odor similar to phenol. distillation with steam. Insoluble in water; soluble in common organic solvents. Combustible.
[Melting point ]

48.5 °C
[Boiling point ]

210-211 °C(lit.)
[density ]

1.047 g/mL at 25 °C(lit.)
[vapor pressure ]

21.864Pa at 25℃
[FEMA ]

3073
[refractive index ]

n20/D 1.501(lit.)
[Fp ]

194 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Insoluble in water
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Almost white or Almost colorless
[Specific Gravity]

1.052 (20/4℃)
[Odor]

at 1.00 % in dipropylene glycol. narcissus phenolic animal
[Odor Type]

floral
[Water Solubility ]

1.195g/L at 25℃
[JECFA Number]

699
[LogP]

2.11 at 25℃
[Uses]

Perfumery, flavoring.
[CAS DataBase Reference]

140-39-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, 4-methylphenyl ester(140-39-6)
[EPA Substance Registry System]

140-39-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

2
[RTECS ]

AJ7570000
[HS Code ]

2915.39.3500
[Safety Profile]

Moderately toxic by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits toxic smoke and irritating fumes.
[Toxicity]

The acute oral LD50 in rats was reported as 1.9 (1.12-3.23) g/kg (Denine, 1973). The acute dermal LD50 in rabbits was reported as 2.1 (1.24-3.57) g/kg (Denine, 1973).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Cresol-->1,1'-Biphenyl, 2,2'-dimethoxy-5,5'-dimethyl--->benzyl p-tolyl ether-->P-TOLYLTRIMETHYLSILANE-->Acetyl bromide-->4'-Methylacetophenone-->carbon monoxide-->Acetyl chloride-->Iodomethane-->Vinyl acetate-->4-Methylanisole
[Preparation Products]

4-HYDROXY-6-METHYLCOUMARIN-->O-TOLYL ACETATE-->4-Acetoxybenzoic acid-->Acetamide,N-[2-(4-aminophenyl)ethyl]-
Hazard InformationBack Directory
[Chemical Properties]

Colorless, oily liquid; odor similar to phenol. distillation with steam. Insoluble in water; soluble in common organic solvents. Combustible.
[Chemical Properties]

p-Tolyl acetate has a strong, floral odor (narcissus) with a characteristic honey-like flavor
[Occurrence]

Reported as a constituent of the essential oils of wallflower, cananga and ylang-ylang.
[Definition]

ChEBI: Tolylacetate is a member of phenols and a benzoate ester.
[Preparation]

By acetylation of p-cresol.
[Aroma threshold values]

Detection: 25 ppb
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 43, p. 2417, 1978 DOI: 10.1021/jo00406a025
[General Description]

The Fries rearrangement of p-tolyl acetate has been investigated using the H-form of various zeolites as catalysts. Mechanism of photo-Fries rearrangement of p-tolyl acetate has been studied.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

P-TOLYL ACETATE(140-39-6)MS
P-TOLYL ACETATE(140-39-6)1HNMR
P-TOLYL ACETATE(140-39-6)13CNMR
P-TOLYL ACETATE(140-39-6)IR1
P-TOLYL ACETATE(140-39-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

140-39-6(sigmaaldrich)
[TCI AMERICA]

p-Tolyl Acetate,>99.0%(GC)(140-39-6)
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