2-Thujene, (1R,4S,5R)-(+)-

  • Identifiers

    CAS number
    18767-59-4

    Molecular formula
    C10H16

    SMILES
    C[C@H]1C=C[C@]2([C@@H]1C2)C(C)C
    HH

    Retention indicies (RI)

    • DB5: 929.0

  • Odor profile

    woody 78.86%
    herbal 68.84%
    spicy 60.28%
    green 59.21%
    fresh 46.24%
    citrus 37.89%
    oily 37.71%
    terpenic 36.03%
    fruity 34.09%
    balsamic 33.78%

    Scent© AI

  • Properties

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

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • 5.2186 hPa @ 20°C
    • 7.162 hPa @ 25°C

    Evaporation rate
    Ultra fast

  • Synonyms

    • (+)-beta-Thujene
    • 23V0D68W8V
    • beta-Thujene, (+)-
    • 2-Thujene, (1R,4S,5R)-(+)-
    • UNII-23V0D68W8V
    • beta-Thujene
    • Bicyclo(3.1.0)hex-2-ene, 4-methyl-1-(1-methylethyl)-, (1R,4S,5R)-
    • 18767-59-4
    • .beta.-Thujene
    • 2-Thujene
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.04%
Coriander fruit 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Coriander fruit (Finland) 4 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.25%
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 0.27%
Cinnamomum burmannii (China) 2a branch & leaf Cinnamomum burmannii Blume (1,8-cineole-type), fam. Lauraceae 0.23%
Cinnamomum burmannii (China) 2b branch & leaf Cinnamomum burmannii Blume (borneol-type), fam. Lauraceae 0.39%
Cinnamomum burmannii (China) 2c branch & leaf Cinnamomum burmannii Blume (p-cymene type), fam. Lauraceae 1.9%
Cinnamomum parthenoxylum (China) 1a Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 9.5%
Cinnamomum parthenoxylum (China) 1b Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.1%
Cinnamomum parthenoxylum (China) 1c Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.16%
Cinnamomum parthenoxylum (China) 1f Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.49%
Acronychia pedunculata (China) Acronychia pedunculata (L.) Miq., fam. Rutaceae 73.09%
Luculia intermedia flower headspace (China) Luclia intermedia Hutch, fam. Rubiaceae 4.0%
Zanthoxylum avicennae (China) Zanthoxylum avicennae (Lam.) DC., fam. Rutaceae 2.7%
Zanthoxylum rhetsoides (China) Zanthoxylum rhetsoides Drake, fam. Rutaceae 3.82%
Ledum palustre (China) Ledum palustre L. var. angustum N. Busch, fam. Ericaceae 21.63%
Cajuput (Vietnam) 1 8008-98-8 Melaleuca cajuputi Powell, var. cajuputi, fam. Myrtaceae 1.0%
Tansy (Poland) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 0.1%
Galbanum stem (Iran) 9000-24-2 Ferula galbaniflua Boiss. et Buhse, fam. Apiaceae (Umbelliferae) 0.1%