仲辛醇

Description

2-Octanol is identified by CAS 123-96-6, molecular formula C8H18O and molecular weight 130.14 g/mol. UNII 66B0DD5E40; ChEBI 37869; InChIKey SJWFXCIHNDVPSH-UHFFFAOYSA-N. Boiling Point: 179 °C; Boiling Point: 179.00 to 181.00 °C. @ 760.00 mm Hg; Boiling Point: 178.5 °C.

Identification

CAS Registry Number	123-96-6
PubChem CID	20083
Molecular formula	C8H18O
Molecular weight	130.14 g/mol
IUPAC name	octan-2-ol
InChIKey	SJWFXCIHNDVPSH-UHFFFAOYSA-N
UNII (FDA)	66B0DD5E40
ChEBI ID	CHEBI:37869
FEMA number	2801
JECFA number	289

Computed Descriptors

Molecular Weight	130.23
XLogP3	2.9
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	179 °C
Boiling Point	179.00 to 181.00 °C. @ 760.00 mm Hg
Boiling Point	178.5 °C
Boiling Point	180 °C
Boiling Point	179.3 °C @760 [mm Hg]
Melting Point	-31.6 °C
Melting Point	-38.6 °C
Flash Point	76 °C
Solubility	In water, 1120 mg/L at 25 C
Solubility	1.2 mg/mL at 25 °C

Physical description & handling notes

• Liquid
• Colorless oily liquid; [ICSC]
• COLOURLESS OILY LIQUID WITH CHARACTERISTIC ODOUR.
• colourless, oily liquid
• Colorless liquid
• Characteristically disagreeable, but aromatic

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fat, Mushroom
GHS notification summary	0.3% (6 / 1874)

GHS Hazard Classification

GHS notification summary	0.3% (6 / 1874)
Reported hazard statements	H315 (12.3%), H318 (82.8%), H319 (16.9%), H226 (25%), H411 (25%), H227, H305, H316

Documented Uses

• Used in perfumes, disinfectant soaps, solvents (fats, waxes, lacquers, and enamels) and to make other organic compounds; [HSDB] Use as paint solvent, textile wetting agent, and component of brake fluid; [Ullmann]
• Painting (Solvents) [Category: Paint]
• Using Disinfectants or Biocides [Category: Clean]
• In manufacture of perfumes; in disinfectant soaps. To prevent foaming. Solvent for fats and waxes.
• CHEM INT FOR ALCOHOL-DERIVED SURFACTANTS.
• Solvent, manufacture of plasticizers, wetting agents, foam-control agents, hydraulic oils, petroleum additives, perfume intermediates, masking of industrial odors.

Synonyms

2-OCTANOL; Octan-2-ol; 123-96-6; 2-Octyl alcohol; Hexylmethylcarbinol; 2-Hydroxyoctane; 1-Methylheptyl alcohol; sec-Caprylic alcohol; Methylhexylcarbinol; 1-Methyl-1-heptanol; n-Octan-2-ol; Hexyl methyl carbinol; 2-Hydroxy-n-octane; Methyl hexyl carbinol; sec-OCTYL ALCOHOL; beta-Octyl alcohol

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Octanol?

CAS 123-96-6; molecular formula C8H18O; molecular weight 130.14 g/mol.

What other names is 2-Octanol known by?

2-OCTANOL, Octan-2-ol, 123-96-6, 2-Octyl alcohol, Hexylmethylcarbinol, 2-Hydroxyoctane.

What is the regulatory status of 2-Octanol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is 2-Octanol classified as hazardous?

0.3% of GHS notifications report no hazard classification (6 of 1874).

What are the key physical properties of 2-Octanol?

Boiling Point: 179 °C; Boiling Point: 179.00 to 181.00 °C. @ 760.00 mm Hg; Boiling Point: 178.5 °C; Boiling Point: 180 °C.

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.