己酸苄酯

Description

BENZYL HEXANOATE is identified by CAS 6938-45-0, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII U7PS33DRSK; InChIKey HRSXWUSONDBHSP-UHFFFAOYSA-N. Boiling Point: 270-272 °C; Density: 0.980-0.990; Refractive Index: 1.480-1.490.

Identification

CAS Registry Number	6938-45-0
PubChem CID	23367
Molecular formula	C13H18O2
Molecular weight	206.13 g/mol
IUPAC name	benzyl hexanoate
InChIKey	HRSXWUSONDBHSP-UHFFFAOYSA-N
UNII (FDA)	U7PS33DRSK
FEMA number	4026
JECFA number	2061

Computed Descriptors

Molecular Weight	206.28
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Topological Polar Surface Area	26.3
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	270-272 °C
Density	0.980-0.990
Refractive Index	1.480-1.490

Physical description & handling notes

• Colourless to pale yellow liquid; Green apricot fruity gardenia and jasmine aroma
• Practically insoluble or insoluble in water
• Soluble (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	100% (91 / 91)

GHS Hazard Classification

GHS notification summary	100% (91 / 91)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

BENZYL HEXANOATE; Benzyl caproate; Hexanoic acid, phenylmethyl ester; Benzyl n-hexanoate; UNII-U7PS33DRSK; U7PS33DRSK; Hexanoic acid, benzyl ester; EINECS 230-068-9; NSC 53964; NSC-53964; AI3-06077; BENZYL HEXANOATE [FHFI]; FEMA NO. 4026; DTXSID60219474; Benzyl hexanoic acid; RefChem:118872

Frequently Asked Questions

What are the CAS number and molecular formula of BENZYL HEXANOATE?

CAS 6938-45-0; molecular formula C13H18O2; molecular weight 206.13 g/mol.

What other names is BENZYL HEXANOATE known by?

BENZYL HEXANOATE, Benzyl caproate, Hexanoic acid, phenylmethyl ester, Benzyl n-hexanoate, UNII-U7PS33DRSK, U7PS33DRSK.

What is the regulatory status of BENZYL HEXANOATE?

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

Is BENZYL HEXANOATE classified as hazardous?

100% of GHS notifications report no hazard classification (91 of 91).

What are the key physical properties of BENZYL HEXANOATE?

Boiling Point: 270-272 °C; Density: 0.980-0.990; Refractive Index: 1.480-1.490.

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.