2-庚醇

Description

2-heptanol is identified by CAS 543-49-7, molecular formula C7H16O and molecular weight 116.12 g/mol. UNII E12FIG07JK; ChEBI 88815; InChIKey CETWDUZRCINIHU-UHFFFAOYSA-N. Boiling Point: 158-160 °C; Boiling Point: 157-161 °C; Flash Point: 160 °F (NFPA, 2010).

Identification

CAS Registry Number	543-49-7
PubChem CID	10976
Molecular formula	C7H16O
Molecular weight	116.12 g/mol
IUPAC name	heptan-2-ol
InChIKey	CETWDUZRCINIHU-UHFFFAOYSA-N
UNII (FDA)	E12FIG07JK
ChEBI ID	CHEBI:88815
FEMA number	3288
JECFA number	284

Computed Descriptors

Molecular Weight	116.20
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	116.120115130
Monoisotopic Mass	116.120115130
Topological Polar Surface Area	20.2
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	158-160 °C
Boiling Point	157-161 °C
Flash Point	160 °F (NFPA, 2010)
Flash Point	71 °C c.c.
Density	0.817-0.819 (20 °C)
Vapor Pressure	1.23 [mmHg]
LogP	2.31
Refractive Index	1.421-1.422

Physical description & handling notes

• 2-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.
• Liquid
• Colorless liquid; [Hawley]
• COLOURLESS LIQUID.
• colourless liquid with a fresh lemon-like, grass-herbaceous odour
• Solubility in water, g/100ml: 0.35

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Earth, Fried, Mushroom, Oil No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (2 / 1799)

GHS Hazard Classification

GHS notification summary	0.1% (2 / 1799)
Reported hazard statements	H226 (96.6%), H312 (99.8%), H315 (94.3%), H319 (97.6%)

Documented Uses

• Found in oil of cloves; [Merck Index] Used as solvent for resins and a frothing agent for ore flotation; [Hawley]
• Plastic Composites Manufacturing [Category: Industry]
• Metal Extraction and Refining [Category: Industry]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Not Known or Reasonably Ascertainable

Synonyms

2-HEPTANOL; Heptan-2-ol; 543-49-7; s-Heptyl alcohol; 2-Heptyl alcohol; 2-Hydroxyheptane; Amyl methyl carbinol; 1-Methylhexanol; Methyl amyl carbinol; Heptanol-2; Heptyl alcohol, sec-; 2-Heptanol (natural); FEMA No. 3288; NSC 2220; DTXSID1047158; EINECS 208-844-3

Frequently Asked Questions

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

CAS 543-49-7; molecular formula C7H16O; molecular weight 116.12 g/mol.

What other names is 2-heptanol known by?

2-HEPTANOL, Heptan-2-ol, 543-49-7, s-Heptyl alcohol, 2-Heptyl alcohol, 2-Hydroxyheptane.

What is the regulatory status of 2-heptanol?

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

Is 2-heptanol classified as hazardous?

0.1% of GHS notifications report no hazard classification (2 of 1799).

What are the key physical properties of 2-heptanol?

Boiling Point: 158-160 °C; Boiling Point: 157-161 °C; Flash Point: 160 °F (NFPA, 2010); Flash Point: 71 °C c.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.