2-Acetyl-1-pyrroline

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  • Identifiers

    CAS number
    85213-22-5

    Molecular formula
    C6H9NO

    SMILES
    CC(=O)C1=NCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    nutty 71.94%
    roasted 71.7%
    popcorn 66.49%
    caramellic 58.7%
    burnt 40.48%
    buttery 33.71%
    coffee 33.68%
    hazelnut 33.54%
    musty 33.24%
    potato 28.31%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.4 Well soluble in DPG, ETH, PG

    Molecular weight
    111.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 19.00 °C. @ 760.00 mm Hg

    Boiling point

    • 182.00 to 183.00 °C. @ 760.00 mm Hg

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Acetyl-1-pyrroline
    • 85213-22-5
    • 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone
    • ETHANONE, 1-(3,4-DIHYDRO-2H-PYRROL-5-YL)-
    • 2-Acetyl-1-pyrolline
    • 2-acetyl-4,5-dihydro-3H-pyrrole
    • 1-Pyrroline, 2-acetyl
    • 5-Acetyl-3,4-dihydro-2H-pyrrole
    • 1-(3,4-dihydro-2H-pyrrol-5-yl)ethan-1-one
    • 2-Acetyl-1-pyrroline-13C2 85% (10% w/w in DCM)
    • CHEBI:67125
    • DTXSID40335080
    • 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone, 9CI
    • Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)-(9ci)
    • 2-Acetyl-1-pyrroline, 10% w/w in DCM
    • SCHEMBL329231
    • DTXCID40286169
    • AKOS006312977
    • MSK160538-100T
    • DISCONTINUED. Please see A187225
    • FA172026
    • DB-076280
    • NS00121102
    • 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone #
    • 2-Acetyl-1-pyrroline, 10 % w/w in m-Xylene
    • H10253
    • 2-Acetyl-1-pyrroline, 10per cent w/w in Toluene
    • Q767025
    • 1-(3,4-DIHYDRO-2H-PYRROL-5-YL)-ETHANONE
    • 2-Acetyl-1-pyrroline Solution in Toluene, 100ug/mL
    • 2-Acetyl-4,5-dihydro-3H-pyrrole, 10% w/w in Toluene
    • 639-632-2
1 4

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction