P-TOLYL ACETATE Chemical Properties

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℃

refractive index 

n20/D 1.501(lit.)

FEMA 

3073 | P-TOLYL ACETATE

Flash point:

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℃

CAS DataBase Reference

140-39-6(CAS DataBase Reference)

NIST Chemistry Reference

Acetic acid, 4-methylphenyl ester(140-39-6)

EPA Substance Registry System

Acetic acid, 4-methylphenyl ester (140-39-6)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38

Safety Statements 

26-36/37/39

RIDADR 

NA 1993 / PGIII

WGK Germany 

2

RTECS 

AJ7570000

HS Code 

2915.39.3500

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).

MSDS

• Language:English Provider:SigmaAldrich

P-TOLYL ACETATE Usage And Synthesis

Aroma

P-TOLYL ACETATE has pungent Lily-like odor, penetrating, floral, Narcissus-like in high dilution, Horse-like, urine-like undertones in higher concentration. Pleasant notes are obtained normally at concentrations below 1% in the perfume creation, but the material is still capable of totally ruining a composition when the acetate is applied in combination with certain fragrance notes or single chemicals.
Finds some use in flavor compositions for its intensely floral power, which can support fruity notes, nut-like aromas, etc.
The concentration in the finished product is usually about 0.5 to 10 ppm, but may reach 220 ppm in chewing gums.

Chemical Properties

Colorless liquid, volatile with steam. Poorly soluble in water, miscible with alcohol and oils. soluble in Propylene glycol. Sp.Gr. 1.05. B.P. 212°C.

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.

Uses

Perfumery, flavoring.

Uses

p-Tolyl acetate has been used in the total synthesis of (?)-incrustoporin.

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

Not classified

Safety Profile

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

P-TOLYL ACETATE(140-39-6)Related Product Information

• PHENYL ACETATE
• Linalyl acetate
• PROPARGYL ACETATE
• Menthyl acetate
• Phenethyl acetate
• Anisyl acetate
• Butyl acetate
• Benzyl acetate
• Cedryl acetate
• ACETIC ACID METHYLTHIOMETHYL ESTER
• Ethyl acetate
• PEG4-tert-butyl acetate
• Vinyl acetate
• 4-CYANOPHENYL 4-N-BUTYLBENZOATE
• 4-(4-Acetoxyphenyl)-2-butanone
• BISPHENOL A DIMETHACRYLATE
• 5-isopropyl-o-tolyl acetate
• METHYL-2-CHLORO-2-(4-TOLYL) ACETATE