cis-3-hexenyl benzoate

Description

cis-3-hexenyl benzoate is identified by CAS 25152-85-6, molecular formula C13H16O2 and molecular weight 204.12 g/mol. UNII P4871S0YA9; ChEBI 156235; InChIKey BCOXBEHFBZOJJZ-ARJAWSKDSA-N. Boiling Point: 105.00 °C. @ 1.00 mm Hg; Boiling Point: 130 °C (5 mm Hg); Density: 0.995-1.004.

Identification

CAS Registry Number	25152-85-6
PubChem CID	5367706
Molecular formula	C13H16O2
Molecular weight	204.12 g/mol
IUPAC name	[(Z)-hex-3-enyl] benzoate
InChIKey	BCOXBEHFBZOJJZ-ARJAWSKDSA-N
UNII (FDA)	P4871S0YA9
ChEBI ID	CHEBI:156235
FEMA number	3688
JECFA number	858

Computed Descriptors

Molecular Weight	204.26
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	204.115029749
Monoisotopic Mass	204.115029749
Topological Polar Surface Area	26.3
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	105.00 °C. @ 1.00 mm Hg
Boiling Point	130 °C (5 mm Hg)
Density	0.995-1.004
Refractive Index	1.503-1.514

Physical description & handling notes

• colourless oily slightly viscous liquid with a green, herbaceous, woody odour
• insoluble in water; soluble in organic solvents, fats, 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 Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	95.9% (1593 / 1661)

GHS Hazard Classification

GHS notification summary	95.9% (1593 / 1661)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 3-Hexen-1-ol, 1-benzoate, (3Z)-: ACTIVE

Synonyms

cis-3-Hexenyl benzoate; 25152-85-6; (3Z)-Hex-3-en-1-yl benzoate; (Z)-3-Hexenyl benzoate; FEMA No. 3688; 3-Hexenyl benzoate, (Z)-; 3-Hexen-1-ol, benzoate, (Z)-; 3-Hexenyl benzoate, cis-; (Z)-Hex-3-enyl benzoate; 3-Hexenyl benzoate, (3Z)-; DTXSID3047554; EINECS 246-669-4; 3-Hexen-1-ol, 1-benzoate, (3Z)-; AI3-35958; P4871S0YA9; BENZOIC ACID, 3-HEXENYL ESTER, (Z)-

Frequently Asked Questions

What are the CAS number and molecular formula of cis-3-hexenyl benzoate?

CAS 25152-85-6; molecular formula C13H16O2; molecular weight 204.12 g/mol.

What other names is cis-3-hexenyl benzoate known by?

cis-3-Hexenyl benzoate, 25152-85-6, (3Z)-Hex-3-en-1-yl benzoate, (Z)-3-Hexenyl benzoate, FEMA No. 3688, 3-Hexenyl benzoate, (Z)-.

What is the regulatory status of cis-3-hexenyl benzoate?

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

Is cis-3-hexenyl benzoate classified as hazardous?

95.9% of GHS notifications report no hazard classification (1593 of 1661).

What are the key physical properties of cis-3-hexenyl benzoate?

Boiling Point: 105.00 °C. @ 1.00 mm Hg; Boiling Point: 130 °C (5 mm Hg); Density: 0.995-1.004; Refractive Index: 1.503-1.514.

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.