甲酸苄酯

Description

benzyl formate is identified by CAS 104-57-4, molecular formula C8H8O2 and molecular weight 136.05 g/mol. UNII 79GJF97O0Y; ChEBI 3057; InChIKey UYWQUFXKFGHYNT-UHFFFAOYSA-N. Boiling Point: 202.00 to 203.00 °C. @ 760.00 mm Hg; Boiling Point: 202 °C; Density: 1.082-1.092.

Identification

CAS Registry Number	104-57-4
PubChem CID	7708
Molecular formula	C8H8O2
Molecular weight	136.05 g/mol
IUPAC name	benzyl formate
InChIKey	UYWQUFXKFGHYNT-UHFFFAOYSA-N
UNII (FDA)	79GJF97O0Y
ChEBI ID	CHEBI:3057
FEMA number	2145
JECFA number	841

Computed Descriptors

Molecular Weight	136.15
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	136.052429494
Monoisotopic Mass	136.052429494
Topological Polar Surface Area	26.3
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	202.00 to 203.00 °C. @ 760.00 mm Hg
Boiling Point	202 °C
Density	1.082-1.092
Refractive Index	1.508-1.518

Physical description & handling notes

• colourless liquid with an intense pleasant, floral-fruity odour
• insoluble in water; 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

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Formic acid, phenylmethyl ester: ACTIVE

Synonyms

Benzyl formate; 104-57-4; Benzyl methanoate; Phenylmethyl formate; Formic acid, phenylmethyl ester; Benzyl alcohol, formate; Formic acid, benzyl ester; FEMA No. 2145; NSC-8049; 79GJF97O0Y; DTXSID5059298; RefChem:118869; DTXCID7032846; 203-214-4; FORMIC ACID BENZYL ESTER; Benzyl formiat

Frequently Asked Questions

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

CAS 104-57-4; molecular formula C8H8O2; molecular weight 136.05 g/mol.

What other names is benzyl formate known by?

Benzyl formate, 104-57-4, Benzyl methanoate, Phenylmethyl formate, Formic acid, phenylmethyl ester, Benzyl alcohol, formate.

What is the regulatory status of benzyl formate?

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

Is benzyl formate classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of benzyl formate?

Boiling Point: 202.00 to 203.00 °C. @ 760.00 mm Hg; Boiling Point: 202 °C; Density: 1.082-1.092; Refractive Index: 1.508-1.518.

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.