辛醇

Description

3 OCTANOL is identified by CAS 589-98-0, molecular formula C8H18O and molecular weight 130.14 g/mol. UNII 73DZ0U3U1E; ChEBI 80945; InChIKey NMRPBPVERJPACX-UHFFFAOYSA-N. Boiling Point: 173.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 174 °C; Melting Point: -45.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	589-98-0
PubChem CID	11527
Molecular formula	C8H18O
Molecular weight	130.14 g/mol
IUPAC name	octan-3-ol
InChIKey	NMRPBPVERJPACX-UHFFFAOYSA-N
UNII (FDA)	73DZ0U3U1E
ChEBI ID	CHEBI:80945
FEMA number	3581
JECFA number	291

Computed Descriptors

Molecular Weight	130.23
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Topological Polar Surface Area	20.2
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	173.00 to 175.00 °C. @ 760.00 mm Hg
Boiling Point	174 °C
Melting Point	-45.00 °C. @ 760.00 mm Hg
Density	0.817-0.824
Refractive Index	1.425-1.429

Physical description & handling notes

• colourless liquid with a strong, oily-nutty, herbaceous odour
• soluble in alcohol, ether; insoluble in water
• (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 Citrus, Moss, Mushroom, Nut, Oil No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	5.9% (98 / 1653)

GHS Hazard Classification

GHS notification summary	5.9% (98 / 1653)
Reported hazard statements	H315 (93.7%), H319 (91.7%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

3-OCTANOL; Octan-3-ol; 589-98-0; 1-Ethylhexanol; Ethylamylcarbinol; Amyl ethyl carbinol; Amylethylcarbinol; Ethyl-n-amylcarbinol; Octanol-3; Ethyl amyl carbinol; D-n-Octanol; 20296-29-1; dl-3-Octanol; n-Octan-3-ol; 3-Octanol (natural); Ethylhexyl alcohol

Frequently Asked Questions

What are the CAS number and molecular formula of 3 OCTANOL?

CAS 589-98-0; molecular formula C8H18O; molecular weight 130.14 g/mol.

What other names is 3 OCTANOL known by?

3-OCTANOL, Octan-3-ol, 589-98-0, 1-Ethylhexanol, Ethylamylcarbinol, Amyl ethyl carbinol.

What is the regulatory status of 3 OCTANOL?

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

Is 3 OCTANOL classified as hazardous?

5.9% of GHS notifications report no hazard classification (98 of 1653).

What are the key physical properties of 3 OCTANOL?

Boiling Point: 173.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 174 °C; Melting Point: -45.00 °C. @ 760.00 mm Hg; Density: 0.817-0.824.

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.