1,2-Cyclohexanedione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    765-87-7

    Molecular formula
    C6H8O2

    SMILES
    C1CCC(=O)C(=O)C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    caramellic 87.39%
    sweet 79.92%
    burnt 63.17%
    nutty 53.79%
    buttery 41.49%
    coffee 40.9%
    coumarinic 32.81%
    woody 32.3%
    tobacco 31.91%
    roasted 31.86%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.1 Well soluble in ETH, DPG, PG

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 38 - 40 °C

    Boiling point

    • 193.00 to 195.00 °C. @ 760.00 mm Hg

  • Synonyms

    • 1,2-CYCLOHEXANEDIONE
    • Cyclohexane-1,2-dione
    • 765-87-7
    • 1,2-Dioxocyclohexane
    • Cyclohexanedione
    • 1,2-Cyclohexadione
    • Cyclohexan-1,2-dione
    • MFCD00001648
    • 1,2-cyclohexandione
    • CCRIS 6296
    • EINECS 212-155-3
    • 75C1OVW0FJ
    • NSC 32950
    • BRN 0507419
    • CHEBI:41674
    • AI3-25042
    • NSC-32950
    • NSC-627435
    • 1,2-CYCLOHEXANEDIONE,KETONE FORM
    • 1,2-CYCLOHEXANEDIONE-
    • DTXSID6061101
    • 4-07-00-01982 (Beilstein Handbook Reference)
    • NSC627435
    • 1-2-Cyclohexanedione
    • cyclohexane-dione
    • 1,2Dioxocyclohexane
    • Cyclohexane1,2dione
    • 1,2-cyclo hexadione
    • cyclohexane-1,2-quinone
    • UNII-75C1OVW0FJ
    • SCHEMBL33935
    • 1,2-Cyclohexanedione, 97%
    • CHEMBL189727
    • SCHEMBL4277215
    • DTXCID3047893
    • NSC32950
    • STR04269
    • BBL100331
    • STL553968
    • AKOS000276702
    • CS-W007347
    • FC16073
    • HY-W007347
    • SY018311
    • DB-018738
    • NS00004801
    • EN300-18736
    • C06105
    • A838753
    • Q27104480
    • Z90122041
    • 212-155-3
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