乙酸大茴香酯

Description

ANISYL ACETATE is identified by CAS 104-21-2, molecular formula C10H12O3 and molecular weight 180.08 g/mol. UNII 2GEC7KBO31; ChEBI 193729; InChIKey HFNGYHHRRMSKEU-UHFFFAOYSA-N. Boiling Point: 137.00 °C. @ 12.00 mm Hg; Boiling Point: 235 °C; Melting Point: 84 °C.

Identification

CAS Registry Number	104-21-2
PubChem CID	7695
Molecular formula	C10H12O3
Molecular weight	180.08 g/mol
IUPAC name	(4-methoxyphenyl)methyl acetate
InChIKey	HFNGYHHRRMSKEU-UHFFFAOYSA-N
UNII (FDA)	2GEC7KBO31
ChEBI ID	CHEBI:193729
FEMA number	2098
JECFA number	873

Computed Descriptors

Molecular Weight	180.20
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	35.5
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	137.00 °C. @ 12.00 mm Hg
Boiling Point	235 °C
Melting Point	84 °C
Density	1.104-1.111
Refractive Index	1.511-1.517

Physical description & handling notes

• Liquid
• Solid
• colourless to pale yellow liquid with a floral, fruity, balsamic odour
• insoluble in water, glycerol, propylene glycol; soluble in organic solvents, oils
• miscible at room temperature (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 Fruit No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	75.1% (1304 / 1736)

GHS Hazard Classification

GHS notification summary	75.1% (1304 / 1736)
Reported hazard statements	H315 (18.8%), H319 (17.1%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Not Known or Reasonably Ascertainable
• Information on 1 consumer products that contain Anisyl Acetate in the following categories is provided:
• Information on 9 consumer products that contain p-Methoxybenzyl acetate in the following categories is provided:
• All Other Basic Organic Chemical Manufacturing

Synonyms

4-Methoxybenzyl acetate; Anisyl acetate; 104-21-2; (4-methoxyphenyl)methyl acetate; Benzyl alcohol, p-methoxy-, acetate; Benzenemethanol, 4-methoxy-, acetate; FEMA No. 2098; DTXSID1044770; 2GEC7KBO31; NSC-46102; DTXCID9024770; RefChem:112843; 203-185-8; 215-562-4; Cassie ketone; P-METHOXYBENZYL ACETATE

Frequently Asked Questions

What are the CAS number and molecular formula of ANISYL ACETATE?

CAS 104-21-2; molecular formula C10H12O3; molecular weight 180.08 g/mol.

What other names is ANISYL ACETATE known by?

4-Methoxybenzyl acetate, Anisyl acetate, 104-21-2, (4-methoxyphenyl)methyl acetate, Benzyl alcohol, p-methoxy-, acetate, Benzenemethanol, 4-methoxy-, acetate.

What is the regulatory status of ANISYL ACETATE?

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

Is ANISYL ACETATE classified as hazardous?

75.1% of GHS notifications report no hazard classification (1304 of 1736).

What are the key physical properties of ANISYL ACETATE?

Boiling Point: 137.00 °C. @ 12.00 mm Hg; Boiling Point: 235 °C; Melting Point: 84 °C; Density: 1.104-1.111.

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.