Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2S)-rel-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    42536-97-0

    Molecular formula
    C13H20O3

    SMILES
    CC/C=C/C[C@H]1[C@@H](CCC1=O)CC(=O)OC
    HHOOO

    Retention indicies (RI)

    • DB5: 1654.0
    • Carbowax: 2350.0

  • Odor profile

    floral 85.71%
    green 81.41%
    fruity 76.79%
    jasmin 72.84%
    sweet 59.08%
    waxy 52.94%
    oily 49.02%
    fresh 48.78%
    tropical 44.67%
    peach 44.36%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9 Well soluble in IAA, DEP, MMB

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • 0.0002 hPa @ 20°C
    • 0.0004 hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

  • Synonyms

    • Methyl (Z)-(cis)-3-oxo-2-(2-pentenyl)cyclopentaneacetate
    • Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2S)-rel-
    • Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2S)-rel-
    • 42536-97-0
    • (e)-methyl jasmonate
    • SCHEMBL14446250
    • GEWDNTWNSAZUDX-NNOMMRTBSA-N
    • DTXSID201022118
    • Methyl {(1S,2S)-3-oxo-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetate
    • 109959-42-4
NaN -Infinity

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
Honeysuckle headspace Lonicera caprifoleum L., fam. Caprifoliaceae 0.1%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 17.16%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.91%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.25%
Chloranthus spicatus flower head space Chloranthus spicatus (Thunb.) Makino, fam. Chloranthaceae 33.71%
Cymbidium goeringii flower headspace Cymbidium goeringii (Rchb.f.) Rchb.f., fam Orchidaceae 0.4%
Jasmine absolute (Egypt) 4 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.6%
Honeysuckle, japanese Lonicera japonica L., fam. Caprifoliaceae 0.2%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 1.0%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.66%
Olive flower (headspace) Olea europaea L., fam. Oleaceae 0.4%
Neroli bigarade (bitter orange flower) Spain 3 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Neroli bigarade (bitter orange flower) Tunisia 2 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Neroli bigarade (bitter orange flower) Morocco 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.03%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.15%
Rosemary (Morocco) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.2%
Nepeta persica (Iran) Nepeta persica Boiss, fam. Lamiaceae (Labiatae) 0.9%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%