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4-Isopropylacetophenone

CAS 645-13-6C11H14OMW 162.23

4-Isopropylacetophenone (CAS 645-13-6) — formula C11H14O, molecular weight 162.23; category organic chemicals.

Product Overview

CAS Number645-13-6
Molecular FormulaC11H14O
Molecular Weight162.23
Boiling Point252.00 to 254.00 °C. @ 760.00 mm Hg
LogP2.98
CategoryOrganic Chemicals

Technical Profile

What this product is

4-Isopropylacetophenone is a carbon-based organic compound with CAS registry number 645-13-6 and molecular formula C11H14O (molecular weight 162.23), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 645-13-6

Its molecular formula C11H14O comprises 11 C, 14 H, 1 O atoms.

Also known as: 4-Isopropylacetophenone · 4-异丙基苯乙酮

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 4-Isopropylacetophenone?

The CAS registry number of 4-Isopropylacetophenone is 645-13-6.

What is the molecular formula and molecular weight of 4-Isopropylacetophenone?

Molecular formula C11H14O, molecular weight 162.23.

What other names is 4-Isopropylacetophenone known by?

It is also registered under: 4-Isopropylacetophenone, 4-异丙基苯乙酮.

Which category does 4-Isopropylacetophenone belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 4-Isopropylacetophenone (CAS 645-13-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number645-13-6
PubChem CID12578
Molecular formulaC11H14O
IUPAC name1-(4-propan-2-ylphenyl)ethanone
UNII (FDA)742ZKZ2A6D
FEMA number2927
JECFA number808

Computed descriptors

Molecular Weight162.23
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass162.104465066
Monoisotopic Mass162.104465066
Topological Polar Surface Area17.1
Heavy Atom Count12

Physicochemical values on record

Boiling Point252.00 to 254.00 °C. @ 760.00 mm Hg
Boiling Point252 °C
Density0.967-0.975
LogP2.98
Refractive Index1.520-1.527

Documented uses on record

    Flavoring Agents -> JECFA Flavorings IndexFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    4'-Isopropylacetophenone; 645-13-6; 4-ISOPROPYLACETOPHENONE; Cuminone; p-Isopropylacetophenone; Ethanone, 1-[4-(1-methylethyl)phenyl]-; Acetophenone, 4'-isopropyl-; Methyl p-isopropylphenyl ketone; Acetylcumene, p-; 1-[4-(propan-2-yl)phenyl]ethan-1-one; FEMA No. 2927; 742ZKZ2A6D; p-Acetylcumene; Isopropylacetylbenzene, p-; 1-(4-(1-Methylethyl)phenyl)ethan-1-one; 1-(4-(1-Methylethyl)phenyl)ethanone

    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
    Spice
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary98.9% (90 / 91)

    GHS hazard classification

    GHS notification summary98.9% (90 / 91)

    This chemical does not meet GHS hazard criteria for 98.9% (90 of 91) of all reports.

    Reported as not meeting GHS hazard criteria by 90 of 91 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    What the public record says

    4-Isopropylacetophenone · CAS 645-13-6 · C11H14O. UNII 742ZKZ2A6D. Boiling Point: 252.00 to 254.00 °C. @ 760.00 mm Hg; Boiling Point: 252 °C; Density: 0.967-0.975.

    Physical description and handling notes

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

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