甲酸茴香酯

Description

anisyl formate is identified by CAS 122-91-8, molecular formula C9H10O3 and molecular weight 166.06 g/mol. UNII 7N0ADO5BXI; ChEBI 173752; InChIKey XPDORSROGAZEGY-UHFFFAOYSA-N. Boiling Point: 220.00 °C. @ 760.00 mm Hg; Boiling Point: 220 °C; Density: 1.136-1.145.

Identification

CAS Registry Number	122-91-8
PubChem CID	61054
Molecular formula	C9H10O3
Molecular weight	166.06 g/mol
IUPAC name	(4-methoxyphenyl)methyl formate
InChIKey	XPDORSROGAZEGY-UHFFFAOYSA-N
UNII (FDA)	7N0ADO5BXI
ChEBI ID	CHEBI:173752
FEMA number	2101
JECFA number	872

Computed Descriptors

Molecular Weight	166.17
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	35.5
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	220.00 °C. @ 760.00 mm Hg
Boiling Point	220 °C
Density	1.136-1.145
Refractive Index	1.519-1.525

Physical description & handling notes

• Colorless liquid; [Sigma-Aldrich MSDS]
• colourless to pale yellow liquid with a sweet, floral, herbaceous-green 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: FLAVOR ENHANCER, 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 Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzenemethanol, 4-methoxy-, 1-formate: ACTIVE

Synonyms

4-Methoxybenzyl formate; Anisyl formate; 122-91-8; (4-methoxyphenyl)methyl formate; Anisyl alcohol, formate; BENZENEMETHANOL, 4-METHOXY-, FORMATE; Benzyl alcohol, p-methoxy-, formate; FEMA No. 2101; DTXSID7047649; 7N0ADO5BXI; NSC-5949; DTXCID5027649; RefChem:112844; 204-582-9; p-Methoxybenzyl formate; Anisyl methanoate

Frequently Asked Questions

What are the CAS number and molecular formula of anisyl formate?

CAS 122-91-8; molecular formula C9H10O3; molecular weight 166.06 g/mol.

What other names is anisyl formate known by?

4-Methoxybenzyl formate, Anisyl formate, 122-91-8, (4-methoxyphenyl)methyl formate, Anisyl alcohol, formate, BENZENEMETHANOL, 4-METHOXY-, FORMATE.

What is the regulatory status of anisyl formate?

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

Is anisyl formate classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of anisyl formate?

Boiling Point: 220.00 °C. @ 760.00 mm Hg; Boiling Point: 220 °C; Density: 1.136-1.145; Refractive Index: 1.519-1.525.

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.