α-戊基肉桂醛，顺式和

Description

α-Amylcinnamaldehyde is identified by CAS 122-40-7, molecular formula C14H18O and molecular weight 202.14 g/mol. UNII NS00079153; ChEBI 196097; InChIKey HMKKIXGYKWDQSV-UHFFFAOYSA-N. Boiling Point: 284 °C; Boiling Point: 284-287 °C; Density: 0.9711 g/cu cm at 20 °C.

Identification

CAS Registry Number	122-40-7
PubChem CID	31209
Molecular formula	C14H18O
Molecular weight	202.14 g/mol
IUPAC name	2-benzylideneheptanal
InChIKey	HMKKIXGYKWDQSV-UHFFFAOYSA-N
UNII (FDA)	NS00079153
ChEBI ID	CHEBI:196097
FEMA number	2061
JECFA number	685

Computed Descriptors

Molecular Weight	202.29
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	202.135765193
Monoisotopic Mass	202.135765193
Topological Polar Surface Area	17.1
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	284 °C
Boiling Point	284-287 °C
Density	0.9711 g/cu cm at 20 °C
Density	0.962-0.969
LogP	log Kow = 4.70
Refractive Index	1.554-1.562

Physical description & handling notes

• CBI; Liquid
• Pale yellowish liquid, strong floral odour suggestive of jasmine
• Clear, yellow, oily liquid
• Jasmine-like odor
• Soluble in acetone, carbon tetrachloride
• Soluble in 6 volumes of 80% alcohol

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	0.1% (1 / 2175)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 2175)
Reported hazard statements	H317 (94.2%), H411 (98.2%), H315, H400, H410

Documented Uses

• Used extensively as a perfume for soap products
• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#7942]
• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Not Known or Reasonably Ascertainable
• Cosmetics product ingredient: 2-Benzylideneheptanal (AMYL CINNAMAL)

Synonyms

alpha-Amylcinnamaldehyde; 122-40-7; Amylcinnamaldehyde; DTXSID8029157; Heptanal, 2-(phenylmethylene)-; FEMA No. 2061; DTXCID409157; NSC-6649; RefChem:1076959; 2-(Phenylmethylene)-Heptanal; 2-Benzylideneheptanal; 2-(phenylmethylidene)heptanal; a-amylcinnamaldehyde; 2-benzylidenheptanal; Pentyl cinnamaldehyde; |?-Amylcinnamaldehyde

Frequently Asked Questions

What are the CAS number and molecular formula of α-Amylcinnamaldehyde?

CAS 122-40-7; molecular formula C14H18O; molecular weight 202.14 g/mol.

What other names is α-Amylcinnamaldehyde known by?

alpha-Amylcinnamaldehyde, 122-40-7, Amylcinnamaldehyde, DTXSID8029157, Heptanal, 2-(phenylmethylene)-, FEMA No. 2061.

What is the regulatory status of α-Amylcinnamaldehyde?

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

Is α-Amylcinnamaldehyde classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 2175).

What are the key physical properties of α-Amylcinnamaldehyde?

Boiling Point: 284 °C; Boiling Point: 284-287 °C; Density: 0.9711 g/cu cm at 20 °C; Density: 0.962-0.969.

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.