• Identifiers

    CAS number
    81944-08-3

    Molecular formula
    C12H14O2

    SMILES
    CCC/C=C/1\C2=C(C=CCC2)C(=O)O1
    OO

    Retention indicies (RI)

    • DB5: 1790.0
    • Carbowax: 2740.0
  • Odor profile

    herbal 71.17%
    spicy 57.0%
    celery 48.54%
    mint 43.36%
    coconut 37.06%
    lactonic 36.13%
    green 34.83%
    coumarinic 28.88%
    sweet 27.1%
    fruity 26.43%

    Scent© AI

  • Properties

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

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • 0.0056 hPa @ 20°C
    • 0.0094 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

  • Synonyms

    • (E)-Ligustilide
    • 81944-08-3
    • (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
    • trans-ligustilide
    • 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (E)-
    • (3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one
    • (3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
    • SCHEMBL4087024
    • IQVQXVFMNOFTMU-DHZHZOJOSA-N
    • AKOS032948223
NaN of -Infinity
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
Name CAS Botanical Proportion
Lovage root (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 1.31%
Lovage headspace 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.66%
Lovage root (China) 1 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.55%
Lovage root (China) 2 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.67%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 1.4%
Lovage seed (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.3%
Geum montanum root Geum montanum L., fam. Rosaceae 0.13%
Lovage leaf (Lithuania) Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 2.65%
Lovage stem (Lithuania) Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.97%
Lovage root (Lithuania) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 1.94%