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2-heptanol

CAS 543-49-7C7H16OMW 116.12 g/mol

2-heptanol (CAS 543-49-7) — formula C7H16O, molecular weight 116.12 g/mol; category organic chemicals.

Product Overview

CAS Number543-49-7
Molecular FormulaC7H16O
Molecular Weight116.12 g/mol
Boiling Point158-160 °C
LogP2.31
CategoryOrganic Chemicals

Technical Profile

What this product is

2-heptanol is a carbon-based organic compound with CAS registry number 543-49-7 and molecular formula C7H16O (molecular weight 116.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 543-49-7

Its molecular formula C7H16O comprises 7 C, 16 H, 1 O atoms.

Also known as: 2-heptanol · 2-庚醇

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2-heptanol?

The CAS registry number of 2-heptanol is 543-49-7.

What is the molecular formula and molecular weight of 2-heptanol?

Molecular formula C7H16O, molecular weight 116.12 g/mol.

What other names is 2-heptanol known by?

It is also registered under: 2-heptanol, 2-庚醇.

Which category does 2-heptanol belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2-heptanol (CAS 543-49-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number543-49-7
PubChem CID10976
Molecular formulaC7H16O
Molecular weight116.12 g/mol
IUPAC nameheptan-2-ol
InChIKeyCETWDUZRCINIHU-UHFFFAOYSA-N
UNII (FDA)E12FIG07JK
ChEBI IDCHEBI:88815
FEMA number3288
JECFA number284

Computed descriptors

Molecular Weight116.20
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass116.120115130
Monoisotopic Mass116.120115130
Topological Polar Surface Area20.2
Heavy Atom Count8

Physicochemical values on record

Boiling Point158-160 °C
Boiling Point157-161 °C
Flash Point160 °F (NFPA, 2010)
Flash Point71 °C c.c.
Density0.817-0.819 (20 °C)
Vapor Pressure1.23 [mmHg]
LogP2.31
Refractive Index1.421-1.422

Documented uses on record

    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]

    Synonyms and trade names

    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

    Regulatory listings held on file

    Regulatory & Food ContactEU 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 summary0.1% (2 / 1799)

    GHS hazard classification

    GHS notification summary0.1% (2 / 1799)
    Reported hazard statementsH226 (96.6%), H312 (99.8%), H315 (94.3%), H319 (97.6%)

    This chemical does not meet GHS hazard criteria for 0.1% (2 of 1799) of reports.

    H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]

    What the public record says

    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).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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