1-Octen-3-Ol

Description

1-Octen-3-Ol is identified by CAS 3391-86-4, molecular formula C8H16O and molecular weight 128.12 g/mol. UNII WXB511GE38; ChEBI 34118; InChIKey VSMOENVRRABVKN-UHFFFAOYSA-N. Boiling Point: 84.00 to 85.00 °C. @ 25.00 mm Hg; Boiling Point: 175-175.2 °C; Melting Point: 175 °C.

Identification

CAS Registry Number	3391-86-4
PubChem CID	18827
Molecular formula	C8H16O
Molecular weight	128.12 g/mol
IUPAC name	oct-1-en-3-ol
InChIKey	VSMOENVRRABVKN-UHFFFAOYSA-N
UNII (FDA)	WXB511GE38
ChEBI ID	CHEBI:34118
FEMA number	2805
JECFA number	1152

Computed Descriptors

Molecular Weight	128.21
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	128.120115130
Monoisotopic Mass	128.120115130
Topological Polar Surface Area	20.2
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	84.00 to 85.00 °C. @ 25.00 mm Hg
Boiling Point	175-175.2 °C
Melting Point	175 °C
Density	0.835-0.845
Refractive Index	1.431-1.442

Physical description & handling notes

• Solid
• Colourless oily liquid; powerful sweet earthy odour with strong herbaceous note reminiscent of lavender-lavadin, rose and hay
• insoluble in water; soluble in oils
• Miscible at room temperature (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 Cucumber, Earth, Fat, Floral, Mushroom No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H302 (96.6%), H315 (99.9%), H319 (99.8%), H332 (97.4%), H400 (93.9%), H317, H401, H412

Documented Uses

• Octenol is used, sometimes in combination with carbon dioxide, to attract insects in order to kill them with certain electronic devices. Its odor has been described as green and moldy or meaty; it is used in certain perfumes. In an animal study, octenol has been found to disrupt dopamine homeostasis and may be an environmental agent involved in parkinsonism.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

1-OCTEN-3-OL; Oct-1-en-3-ol; 3391-86-4; Vinyl amyl carbinol; Amyl vinyl carbinol; 1-Vinylhexanol; 3-Hydroxy-1-octene; Matsuica alcohol; Mushroom alcohol; Pentylvinylcarbinol; Vinyl hexanol; Amylvinylcarbinol; octene-1-ol-3; FEMA No. 2805; DTXSID3035214; NSC-87563

Frequently Asked Questions

What are the CAS number and molecular formula of 1-Octen-3-Ol?

CAS 3391-86-4; molecular formula C8H16O; molecular weight 128.12 g/mol.

What other names is 1-Octen-3-Ol known by?

1-OCTEN-3-OL, Oct-1-en-3-ol, 3391-86-4, Vinyl amyl carbinol, Amyl vinyl carbinol, 1-Vinylhexanol.

What is the regulatory status of 1-Octen-3-Ol?

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

Is 1-Octen-3-Ol classified as hazardous?

Hazard statements reported: H302, H315, H319, H332, H400.

What are the key physical properties of 1-Octen-3-Ol?

Boiling Point: 84.00 to 85.00 °C. @ 25.00 mm Hg; Boiling Point: 175-175.2 °C; Melting Point: 175 °C; Density: 0.835-0.845.

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.