1-Methylhexyl acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5921-82-4

    Molecular formula
    C9H18O2

    SMILES
    CCCCCC(C)OC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1039.0

  • Odor profile

    fruity 93.92%
    green 75.75%
    sweet 55.97%
    banana 54.01%
    herbal 53.57%
    pear 50.61%
    floral 49.79%
    waxy 49.65%
    fresh 47.47%
    apple 47.45%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9 Well soluble in DEP, IAA, BB

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    175°C

  • Synonyms

    • 1-Methylhexyl acetate
    • 2-Heptyl acetate
    • heptan-2-yl acetate
    • 5921-82-4
    • 2-Heptanol, acetate
    • 2XQ2C7T25A
    • Hept-2-yl ethanoate
    • EINECS 227-647-3
    • AI3-33695
    • DTXSID60863653
    • 2-Acetate 2-Heptanol
    • sec-heptyl acetate
    • 2-Heptyl acetic acid
    • UNII-2XQ2C7T25A
    • (A+-)-2-Heptanol acetate
    • (+/-)-2-Heptanol acetate
    • SCHEMBL1301645
    • DTXCID60812242
    • DB-363705
    • A8470
    • NS00047310
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

Botanical

Name CAS Botanical Proportion
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.06%
Aframomum melegueta Aframomum melegueta (Roscoe) K. Schum., fam. Zingiberaceae 3.3%
Avocado leaf Persea gratissima Gaertner (P. americana Mill.), fam. Lauraceae 0.01%
Ginger (China) 7 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Curcuma aromatica (India) 2a leaf Curcuma aromatica Salisb., fam. Zingiberaceae 0.05%
Ruta chalepensis (Greece) Ruta chalepensis L., fam. Rutaceae 0.05%