Isocaryophyllene

  • Identifiers

    CAS number
    118-65-0

    Molecular formula
    C15H24

    SMILES
    C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
    HH

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1406.25
    • Carbowax: 1589.0

  • Odor profile

    woody 81.1%
    sweet 60.34%
    spicy 53.77%
    dry 45.55%
    citrus 43.88%
    terpenic 43.38%
    herbal 41.75%
    fresh 41.02%
    green 39.71%
    pine 38.36%

    Scent© AI

  • Properties

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

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • 0.0069 hPa @ 20°C
    • 0.0113 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    280°C

    Boiling point expt.

    • 264 to 266 °F at 14 mmHg (NTP, 1992)

    Flash point expt.

    • 214 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Insoluble in water; soluble in oils, ether
    • Soluble (in ethanol)

  • Synonyms

    • Isocaryophyllene
    • 118-65-0
    • (-)-ISOCARYOPHYLLENE
    • Caryophyllene
    • Cis-caryophyllene
    • gamma-caryophyllene
    • NRY8I0KNIR
    • UNII-NRY8I0KNIR
    • Isocaryophyllene (80per cent)
    • 87-44-5
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Savin 2 8024-00-8 Juniperus sabina L., fam. Cupressaceae 0.02%
Hinoki leaf Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 1.65%
Hinoki root Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.55%
Hinoki wood Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.12%
Marigold pot 2 70892-20-5 Calendula officinalis L. (Pot Marigold), fam. Asteraceae (Compositae) 0.82%
Thymus capitatus (Portugal) Thymus capitatus (L.) Hoffmanns et Link, fam. Lamiaceae (Labiatae) 0.5%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 13.67%
Pinus koraiensis (China) Pinus koraiensis Sieb. et Zucc., fam. Pinaceae 2.04%
Neocinnamomum delavayi Neocinnamomum delavayi (L. Lec.) Liou, fam. Lauraceae 6.61%
Acronychia oligophlebia (China) Acronychia oligophlebia Merr., fam. Rutaceae 3.98%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.19%
Chamomile, german (India) 2d root 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.4%
Sage, dalmatian (Serbia-Montenegro) 1a leaf Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Sage, dalmatian (Serbia-Montenegro) 1b flower 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Hemidesmus indicus Hemidesmus indicus R.Br., fam. Asclepiadaceae 0.2%
Marihuana (Austria) Cannabis sativa L., fam. Cannabinaceae 0.2%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.5%
Teucrium salviastrum (Portugal) Teucrium salviastrum Schreber, fam. Lamiaceae (Lagiatae) 0.1%