α-戊基肉桂醛二甲缩醛

Description

α-Amylcinnamaldehyde dimethyl acetal is identified by CAS 91-87-2, molecular formula C16H24O2 and molecular weight 248.18 g/mol. UNII NS00011961; ChEBI 171701; InChIKey QCHZKUPVENJLAW-UHFFFAOYSA-N. Boiling Point: 300 °C; Density: 0.954-0.963; Refractive Index: 1.504-1.511.

Identification

CAS Registry Number	91-87-2
PubChem CID	62337
Molecular formula	C16H24O2
Molecular weight	248.18 g/mol
IUPAC name	2-(dimethoxymethyl)hept-1-enylbenzene
InChIKey	QCHZKUPVENJLAW-UHFFFAOYSA-N
UNII (FDA)	NS00011961
ChEBI ID	CHEBI:171701
JECFA number	681

Computed Descriptors

Molecular Weight	248.36
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	248.177630004
Monoisotopic Mass	248.177630004
Topological Polar Surface Area	18.5
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Boiling Point	300 °C
Density	0.954-0.963
Refractive Index	1.504-1.511

Physical description & handling notes

• Almost colourless to pale yellow, floral odour reminiscent of jasmine
• slightly soluble in water
• miscible (in ethanol)

Regulatory Status

Regulatory & Food Contact	Flavoring Agents
GHS notification summary	85.8% (235 / 274)

GHS Hazard Classification

GHS notification summary	85.8% (235 / 274)
Reported hazard statements	H315 (14.2%), H319 (14.2%), H335 (14.2%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• alpha-Amylcinnamicaldehyde dimethyl acetal
• IFRA 51st Amendment - Guidance for the use of IFRA Standards
• Restriction: This material should be used only in the limited quantity as stated in the Standard
• Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.
• 0.063 [Products applied to the lips]

Synonyms

2-(dimethoxymethyl)hept-1-enylbenzene; 91-87-2; [2-(Dimethoxymethyl)-1-heptenyl]benzene; (2-(Dimethoxymethyl)hept-1-en-1-yl)benzene; [2-(dimethoxymethyl)hept-1-en-1-yl]benzene; alpha-amyl cinnamaldehyde dimethyl acetal; SCHEMBL874602; orb2645960; DTXSID1052612; CHEBI:171701; QCHZKUPVENJLAW-UHFFFAOYSA-N; AAA09187; ?-Amylcinnamaldehyde dimethyl acetal; NS00011961; alpha-Amylcinnamaldehyde Dimethyl Acetal; a-Amylcinnamaldehyde dimethyl acetal

Frequently Asked Questions

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

CAS 91-87-2; molecular formula C16H24O2; molecular weight 248.18 g/mol.

What other names is α-Amylcinnamaldehyde dimethyl acetal known by?

2-(dimethoxymethyl)hept-1-enylbenzene, 91-87-2, [2-(Dimethoxymethyl)-1-heptenyl]benzene, (2-(Dimethoxymethyl)hept-1-en-1-yl)benzene, [2-(dimethoxymethyl)hept-1-en-1-yl]benzene, alpha-amyl cinnamaldehyde dimethyl acetal.

What is the regulatory status of α-Amylcinnamaldehyde dimethyl acetal?

Documented regulatory listings: Flavoring Agents.

Is α-Amylcinnamaldehyde dimethyl acetal classified as hazardous?

85.8% of GHS notifications report no hazard classification (235 of 274).

What are the key physical properties of α-Amylcinnamaldehyde dimethyl acetal?

Boiling Point: 300 °C; Density: 0.954-0.963; Refractive Index: 1.504-1.511.

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.