对乙酸甲苯酯

Description

P-cresyl acetate is identified by CAS 140-39-6, molecular formula C9H10O2 and molecular weight 150.07 g/mol. UNII 42I5PWW20C; ChEBI 9627; InChIKey CDJJKTLOZJAGIZ-UHFFFAOYSA-N. Boiling Point: 208.00 to 212.00 °C. @ 760.00 mm Hg; Boiling Point: 208-212 °C; Density: 1.044-1.052.

Identification

CAS Registry Number	140-39-6
PubChem CID	8797
Molecular formula	C9H10O2
Molecular weight	150.07 g/mol
IUPAC name	(4-methylphenyl) acetate
InChIKey	CDJJKTLOZJAGIZ-UHFFFAOYSA-N
UNII (FDA)	42I5PWW20C
ChEBI ID	CHEBI:9627
FEMA number	3073
JECFA number	699

Computed Descriptors

Molecular Weight	150.17
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	208.00 to 212.00 °C. @ 760.00 mm Hg
Boiling Point	208-212 °C
Density	1.044-1.052
Vapor Pressure	0.16 [mmHg]
LogP	2.11
Refractive Index	1.499-1.503

Physical description & handling notes

• Colorless liquid; [Sigma-Aldrich MSDS]
• Clear, colourless liquid, strong floral odour
• slightly soluble in water; soluble in oils
• miscible (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Information on 2 consumer products that contain Cresyl Acetate in the following categories is provided:
• Acetic acid, 4-methylphenyl ester: ACTIVE

Synonyms

p-Tolyl acetate; p-Cresyl acetate; 140-39-6; Acetic acid, 4-methylphenyl ester; p-Acetoxytoluene; Narceol; 4-Methylphenyl acetate; Cresyl acetate; Paracresyl acetate; Acetic acid, p-tolyl ester; FEMA No. 3073; 42I5PWW20C; NSC-43244; NSC-65594; para-cresyl acetate; RefChem:858038

Frequently Asked Questions

What are the CAS number and molecular formula of P-cresyl acetate?

CAS 140-39-6; molecular formula C9H10O2; molecular weight 150.07 g/mol.

What other names is P-cresyl acetate known by?

p-Tolyl acetate, p-Cresyl acetate, 140-39-6, Acetic acid, 4-methylphenyl ester, p-Acetoxytoluene, Narceol.

What is the regulatory status of P-cresyl acetate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is P-cresyl acetate classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of P-cresyl acetate?

Boiling Point: 208.00 to 212.00 °C. @ 760.00 mm Hg; Boiling Point: 208-212 °C; Density: 1.044-1.052; Vapor Pressure: 0.16 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.