Hydroxycitronellal

Description

Hydroxycitronellal is identified by CAS 107-75-5, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 8SQ0VA4YUR; ChEBI 53459; InChIKey WPFVBOQKRVRMJB-UHFFFAOYSA-N. Boiling Point: 241.00 °C. @ 760.00 mm Hg; Boiling Point: 241 °C; 94-96 °C (1 mm Hg); Density: 0.918-0.923.

Identification

CAS Registry Number	107-75-5
PubChem CID	7888
Molecular formula	C10H20O2
Molecular weight	172.15 g/mol
IUPAC name	7-hydroxy-3,7-dimethyloctanal
InChIKey	WPFVBOQKRVRMJB-UHFFFAOYSA-N
UNII (FDA)	8SQ0VA4YUR
ChEBI ID	CHEBI:53459
FEMA number	2583
JECFA number	611

Computed Descriptors

Molecular Weight	172.26
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	37.3
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	241.00 °C. @ 760.00 mm Hg
Boiling Point	241 °C; 94-96 °C (1 mm Hg)
Density	0.918-0.923
Refractive Index	1.447-1.450

Physical description & handling notes

• Liquid; Dry Powder; Liquid; CBI
• Liquid; [Sigma-Aldrich MSDS]
• colourless liquid with sweet floral lily-like odour
• slightly
• slightly soluble in water; soluble in alcohol, propylene glycol, and oils; insoluble in glycerol
• 1 ml in 1 ml 50% alcohol (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	0.1% (1 / 2046)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 2046)
Reported hazard statements	H317, H319, H335, H402

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Cosmetics product ingredient: Hydroxycitronellal (7-Hydroxycitronellal)
• For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:
• Information on 159 consumer products that contain Hydroxycitronellal in the following categories is provided:

Synonyms

Hydroxycitronellal; 7-Hydroxy-3,7-dimethyloctanal; 107-75-5; 7-Hydroxycitronellal; 3,7-Dimethyl-7-hydroxyoctanal; Citronellal hydrate; Phixia; Cyclalia; Cyclosia; Laurine; Fixol; Lilyl aldehyde; Muguettine principle; Octanal, 7-hydroxy-3,7-dimethyl-; Musuettine principle; Oxydihydrocitronellal

Frequently Asked Questions

What are the CAS number and molecular formula of Hydroxycitronellal?

CAS 107-75-5; molecular formula C10H20O2; molecular weight 172.15 g/mol.

What other names is Hydroxycitronellal known by?

Hydroxycitronellal, 7-Hydroxy-3,7-dimethyloctanal, 107-75-5, 7-Hydroxycitronellal, 3,7-Dimethyl-7-hydroxyoctanal, Citronellal hydrate.

What is the regulatory status of Hydroxycitronellal?

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

Is Hydroxycitronellal classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 2046).

What are the key physical properties of Hydroxycitronellal?

Boiling Point: 241.00 °C. @ 760.00 mm Hg; Boiling Point: 241 °C; 94-96 °C (1 mm Hg); Density: 0.918-0.923; Refractive Index: 1.447-1.450.

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.