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6-Methyl-5-hepten-2-one

CAS 110-93-0C8H14OMW 126.10 g/mol

6-Methyl-5-hepten-2-one (CAS 110-93-0) — formula C8H14O, molecular weight 126.10 g/mol; category organic chemicals.

Product Overview

CAS Number110-93-0
Molecular FormulaC8H14O
Molecular Weight126.10 g/mol
Melting PointFP: -67.1 °C
Boiling Point173 °C @ 760 MM HG
LogP1.9
CategoryOrganic Chemicals

Technical Profile

What this product is

6-Methyl-5-hepten-2-one is a carbon-based organic compound with CAS registry number 110-93-0 and molecular formula C8H14O (molecular weight 126.10 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 110-93-0

Its molecular formula C8H14O comprises 8 C, 14 H, 1 O atoms.

Also known as: 6-Methyl-5-hepten-2-one · 甲基庚烯酮

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 6-Methyl-5-hepten-2-one?

The CAS registry number of 6-Methyl-5-hepten-2-one is 110-93-0.

What is the molecular formula and molecular weight of 6-Methyl-5-hepten-2-one?

Molecular formula C8H14O, molecular weight 126.10 g/mol.

What other names is 6-Methyl-5-hepten-2-one known by?

It is also registered under: 6-Methyl-5-hepten-2-one, 甲基庚烯酮.

Which category does 6-Methyl-5-hepten-2-one belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 6-Methyl-5-hepten-2-one (CAS 110-93-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number110-93-0
PubChem CID9862
Molecular formulaC8H14O
Molecular weight126.10 g/mol
IUPAC name6-methylhept-5-en-2-one
InChIKeyUHEPJGULSIKKTP-UHFFFAOYSA-N
UNII (FDA)448353S93V
ChEBI IDCHEBI:16310
FEMA number2707
JECFA number1120

Computed descriptors

Molecular Weight126.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1
Heavy Atom Count9

Physicochemical values on record

Boiling Point173 °C @ 760 MM HG
Boiling Point72.00 to 73.00 °C. @ 18.00 mm Hg
Boiling Point173.1 °C
Melting PointFP: -67.1 °C
Melting Point-67 °C
Flash Point135 °F (57 °C)
Solubility3351 /mg/L @ 20 °C (exp)
Density0.8546 @ 16 °C/4 °C
Density0.846-0.854
Vapor Density4.35 (AIR= 1)

Documented uses on record

    Found in oil of lemon grass; Used in organic synthesis and in perfumes and flavoring; [Hawley]Used as flavor enhancer; [FDA] Used mainly for chemical synthesis (closed systems); Also used in cleaning agents and as a flavor or aroma additive in cosmetics and food; [OECD SIDS]

    Synonyms and trade names

    6-METHYL-5-HEPTEN-2-ONE; 6-Methylhept-5-en-2-one; 110-93-0; Sulcatone; METHYL HEPTENONE; 5-HEPTEN-2-ONE, 6-METHYL-; 2-Oxo-6-methylhept-5-ene; FEMA No. 2707; DTXSID5021629; NSC-15294; DTXCID501629; CHEBI:16310; RefChem:818618; DTXSID9027152; 203-816-7; Methylheptenone

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVOR ENHANCER
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Citrus, Mushroom, Pepper, Rubber, Strawberry
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary0.1% (1 / 1601)

    GHS hazard classification

    GHS notification summary0.1% (1 / 1601)
    Reported hazard statementsH226 (100%), H319 (74.4%), H302 (83.5%), H315 (83.8%), H317 (85.3%), H320, H336

    H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

    H319 (74.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    What the public record says

    6-Methyl-5-hepten-2-one is identified by CAS 110-93-0, molecular formula C8H14O and molecular weight 126.10 g/mol. UNII 448353S93V; ChEBI 16310; InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N. Boiling Point: 173 °C @ 760 MM HG; Boiling Point: 72.00 to 73.00 °C. @ 18.00 mm Hg; Boiling Point: 173.1 °C.

    Physical description and handling notes

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

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