3,7-dimethyloctanal

Description

3,7-dimethyloctanal · CAS 5988-91-0 · C10H20O. UNII F32WFZ5HGW. Boiling Point: 197.00 to 198.00 °C. @ 760.00 mm Hg; Boiling Point: 270-272º; Solubility: 13 mg/L @ 20 °C (exp).

Identification

CAS Registry Number	5988-91-0
PubChem CID	110747
Molecular formula	C10H20O
IUPAC name	3,7-dimethyloctanal
UNII (FDA)	F32WFZ5HGW
FEMA number	4348
JECFA number	2176

Computed Descriptors

Molecular Weight	156.26
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	156.151415257
Monoisotopic Mass	156.151415257
Topological Polar Surface Area	17.1
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	197.00 to 198.00 °C. @ 760.00 mm Hg
Boiling Point	270-272º
Solubility	13 mg/L @ 20 °C (exp)
Density	1.085-1.095
Refractive Index	1.451-1.457 (25 °C)

Physical description & handling notes

• Liquid
• Clear colourless to pale yellow solution; Onion aroma with fruity undertones
• Practially insoluble to insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 974-JECFA 76

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Other (requires additional information)

Synonyms

3,7-Dimethyloctanal; Octanal, 3,7-dimethyl-; Tetrahydrogeranial; Dihydrocitronellal; tetrahydrocitral; 6,7-Dihydrocitronellal; DTXSID4044826; BRN 1721497; UNII-F32WFZ5HGW; F32WFZ5HGW; EINECS 227-810-9; 25795-46-4; DTXCID2024826; FEMA NO. 4348; 4-01-00-03371 (Beilstein Handbook Reference); 3,7-DIMETHYLOCTANAL [FHFI]

Frequently Asked Questions

What are the CAS number and molecular formula of 3,7-dimethyloctanal?

CAS 5988-91-0; molecular formula C10H20O; molecular weight — g/mol.

What other names is 3,7-dimethyloctanal known by?

3,7-Dimethyloctanal, Octanal, 3,7-dimethyl-, Tetrahydrogeranial, Dihydrocitronellal, tetrahydrocitral, 6,7-Dihydrocitronellal.

What is the regulatory status of 3,7-dimethyloctanal?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

What are the key physical properties of 3,7-dimethyloctanal?

Boiling Point: 197.00 to 198.00 °C. @ 760.00 mm Hg; Boiling Point: 270-272º; Solubility: 13 mg/L @ 20 °C (exp); Density: 1.085-1.095.

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.