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4-Methyl-1-phenyl-2-pentanone

CAS 5349-62-2C12H16OMW 176.12 g/mol

4-Methyl-1-phenyl-2-pentanone (CAS 5349-62-2) — formula C12H16O, molecular weight 176.12 g/mol.

Product Overview

CAS Number5349-62-2
Molecular FormulaC12H16O
Molecular Weight176.12 g/mol
Boiling Point250.00 to 251.00 °C. @ 760.00 mm Hg
LogP2.7

Technical Profile

What this product is

4-Methyl-1-phenyl-2-pentanone is a chemical compound with CAS registry number 5349-62-2 and molecular formula C12H16O (molecular weight 176.12 g/mol).

Identification

CAS number: 5349-62-2

Its molecular formula C12H16O comprises 12 C, 16 H, 1 O atoms.

Also known as: 4-Methyl-1-phenyl-2-pentanone · 4-methyl-1-phenylpentan-2-one

Frequently Asked Questions

What is the CAS number of 4-Methyl-1-phenyl-2-pentanone?

The CAS registry number of 4-Methyl-1-phenyl-2-pentanone is 5349-62-2.

What is the molecular formula and molecular weight of 4-Methyl-1-phenyl-2-pentanone?

Molecular formula C12H16O, molecular weight 176.12 g/mol.

What other names is 4-Methyl-1-phenyl-2-pentanone known by?

It is also registered under: 4-Methyl-1-phenyl-2-pentanone, 4-methyl-1-phenylpentan-2-one.

PubChem Public Data

Independent reference data for 4-Methyl-1-phenyl-2-pentanone (CAS 5349-62-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number5349-62-2
PubChem CID219672
Molecular formulaC12H16O
Molecular weight176.12 g/mol
IUPAC name4-methyl-1-phenylpentan-2-one
InChIKeyDTYGTEGDVPAKDA-UHFFFAOYSA-N
UNII (FDA)2Z1A62342T
ChEBI IDCHEBI:169560
FEMA number2740
JECFA number828

Computed descriptors

Molecular Weight176.25
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass176.120115130
Monoisotopic Mass176.120115130
Topological Polar Surface Area17.1
Heavy Atom Count13

Physicochemical values on record

Boiling Point250.00 to 251.00 °C. @ 760.00 mm Hg
Boiling Point250-251 °C
Density0.940-0.949
Refractive Index1.500-1.510

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    4-Methyl-1-phenylpentan-2-one; 4-Methyl-1-phenyl-2-pentanone; Benzyl isobutyl ketone; Isobutyl benzyl ketone; 2-Pentanone, 4-methyl-1-phenyl-; spicy pentanone; FEMA No. 2740; 2Z1A62342T; UNII-2Z1A62342T; DTYGTEGDVPAKDA-UHFFFAOYSA-; NSC 1268; NSC-1268; EINECS 226-316-0; AI3-11065; DTXSID1063805; 4-METHYL-1-PHENYL-2-PENTANONE [FHFI]

    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
    Savory
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary6.4% (88 / 1374)

    GHS hazard classification

    GHS notification summary6.4% (88 / 1374)
    Reported hazard statementsH226 (93.6%)

    This chemical does not meet GHS hazard criteria for 6.4% (88 of 1374) of reports.

    H226 (93.6%): Flammable liquid and vapor [Warning Flammable liquids]

    What the public record says

    4-Methyl-1-phenyl-2-pentanone is identified by CAS 5349-62-2, molecular formula C12H16O and molecular weight 176.12 g/mol. UNII 2Z1A62342T; ChEBI 169560; InChIKey DTYGTEGDVPAKDA-UHFFFAOYSA-N. Boiling Point: 250.00 to 251.00 °C. @ 760.00 mm Hg; Boiling Point: 250-251 °C; Density: 0.940-0.949.

    Physical description and handling notes

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

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