正丁基肉桂酸酯, 98%

Description

N-BUTYL CINNAMATE is identified by CAS 538-65-8, molecular formula C13H16O2 and molecular weight 204.12 g/mol. UNII 05Q793M6Z5; ChEBI 192913; InChIKey OHHIVLJVBNCSHV-MDZDMXLPSA-N. Boiling Point: 287 °C; Density: 1.008-1.014; Refractive Index: 1.539-1.545.

Identification

CAS Registry Number	538-65-8
PubChem CID	5273465
Molecular formula	C13H16O2
Molecular weight	204.12 g/mol
IUPAC name	butyl (E)-3-phenylprop-2-enoate
InChIKey	OHHIVLJVBNCSHV-MDZDMXLPSA-N
UNII (FDA)	05Q793M6Z5
ChEBI ID	CHEBI:192913
FEMA number	2192
JECFA number	663

Computed Descriptors

Molecular Weight	204.26
XLogP3	3.9
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	287 °C
Density	1.008-1.014
Refractive Index	1.539-1.545

Physical description & handling notes

• Colourless, oily, somewhat viscous liquid, sweet, oily, balsamic, fruity odour
• slightly soluble to insoluble in water
• miscible (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 Balsamic No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	87.9% (233 / 265)

GHS Hazard Classification

GHS notification summary	87.9% (233 / 265)
Reported hazard statements	H315 (12.1%), H319 (12.1%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• 2-Propenoic acid, 3-phenyl-, butyl ester: ACTIVE

Synonyms

BUTYL CINNAMATE; n-Butyl cinnamate; Eliminoxy; butyl (E)-3-phenylprop-2-enoate; Cinnamic acid, butyl ester; n-Butyl phenylacrylate; Cinnamic acid n-butyl ester; Butyl 3-phenyl-2-propenoate; Butyl phenylacrylate; Cinnamic acid butyl ester; Cinnamate de n-butyle; Butyl 3-phenylpropenoate; Butyl-beta-phenylacrylate; FEMA No. 2192; NSC 71966; 2-Propenoic acid, 3-phenyl-, butyl ester

Frequently Asked Questions

What are the CAS number and molecular formula of N-BUTYL CINNAMATE?

CAS 538-65-8; molecular formula C13H16O2; molecular weight 204.12 g/mol.

What other names is N-BUTYL CINNAMATE known by?

BUTYL CINNAMATE, n-Butyl cinnamate, Eliminoxy, butyl (E)-3-phenylprop-2-enoate, Cinnamic acid, butyl ester, n-Butyl phenylacrylate.

What is the regulatory status of N-BUTYL CINNAMATE?

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

Is N-BUTYL CINNAMATE classified as hazardous?

87.9% of GHS notifications report no hazard classification (233 of 265).

What are the key physical properties of N-BUTYL CINNAMATE?

Boiling Point: 287 °C; Density: 1.008-1.014; Refractive Index: 1.539-1.545.

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.