Cembrene

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  • Identifiers

    CAS number
    1898-13-1

    Molecular formula
    C20H32

    SMILES
    C/C/1=C\CC/C(=C/C/C=C(\C=C\C(CC1)C(C)C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.23%
    Citrus 70.34%
    Spicy 64.29%
    Herbal 62.67%
    Terpenic 55.84%
    Lemon 53.34%
    Fresh 46.04%
    Pine 38.73%
    Dry 34.34%
    Mint 33.43%

     

    Flavor
    Woody 73.94%
    Wood 55.24%
    Spice 52.68%
    Herbal 49.48%
    Terpene 40.19%
    Citrus 36.96%
    Green 36.31%
    Turpentine 34.5%
    Herb 32.83%
    Lemon 32.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    10.82 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point

    • 139.72 ˚C est.

  • Synonyms

    • Cembrene
    • Thunbergen
    • (+)-Thunbergen
    • 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (1E,3Z,6E,10E,14S)-
    • RefChem:124319
    • (1S,2E,7E,11E)-2,4(18),7,11-Cembratraene
    • 1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl-, (+)-
    • (S,1E,3Z,6E,10E)-14-Isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene
    • 1898-13-1
    • DMHADBQKVWXPPM-JNTUPPFWSA-N
    • DMHADBQKVWXPPM-ZTAOLZRRSA-N
    • CHEBI:29550
    • DMHADBQKVWXPPM-HPKGDXISSA-N
    • LMPR0104190002
    • Q27110141
    • 1898-13-1

  • Applications

    Cembrene (CAS 1898-13-1) is a macrocyclic diterpene found in certain essential oils. In real-world applications, it is typically used as a fragrance ingredient and a fixative in perfumery due to its long-lasting aroma; it may be employed as a fragrance component in cosmetics and personal care products; in household products and cleaners, it can impart a lasting scent; in industrial manufacturing, it is often considered as an aroma-chemical intermediate or a starting point for the synthesis of macrocyclic fragrance compounds; and in research and development of natural product chemistry, it serves as a reference compound for macrocyclic diterpenes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.83
    methanol 35.55
    isopropanol 93.97
    water 0.01
    ethyl acetate 490.7
    n-propanol 124.83
    acetone 120.62
    n-butanol 195.36
    acetonitrile 51.46
    DMF 43.68
    toluene 738.0
    isobutanol 91.33
    1,4-dioxane 720.02
    methyl acetate 150.14
    THF 1028.96
    2-butanone 268.65
    n-pentanol 153.45
    sec-butanol 161.59
    n-hexane 397.75
    ethylene glycol 2.19
    NMP 90.0
    cyclohexane 538.18
    DMSO 61.21
    n-butyl acetate 947.01
    n-octanol 144.08
    chloroform 557.24
    n-propyl acetate 303.46
    acetic acid 32.56
    dichloromethane 479.02
    cyclohexanone 404.44
    propylene glycol 9.96
    isopropyl acetate 427.95
    DMAc 123.32
    2-ethoxyethanol 122.87
    isopentanol 202.78
    n-heptane 531.21
    ethyl formate 69.38
    1,2-dichloroethane 345.97
    n-hexanol 389.63
    2-methoxyethanol 113.59
    isobutyl acetate 266.15
    tetrachloromethane 117.25
    n-pentyl acetate 324.56
    transcutol 1257.06
    n-heptanol 155.03
    ethylbenzene 402.66
    MIBK 300.36
    2-propoxyethanol 341.45
    tert-butanol 161.32
    MTBE 753.53
    2-butoxyethanol 181.82
    propionic acid 37.46
    o-xylene 356.54
    formic acid 3.49
    diethyl ether 1162.49
    m-xylene 450.99
    p-xylene 354.76
    chlorobenzene 265.5
    dimethyl carbonate 39.25
    n-octane 116.98
    formamide 6.57
    cyclopentanone 248.86
    2-pentanone 381.34
    anisole 412.04
    cyclopentyl methyl ether 650.61
    gamma-butyrolactone 166.67
    1-methoxy-2-propanol 139.31
    pyridine 467.74
    3-pentanone 297.87
    furfural 134.01
    n-dodecane 55.13
    diethylene glycol 69.01
    diisopropyl ether 493.12
    tert-amyl alcohol 215.57
    acetylacetone 252.52
    n-hexadecane 66.91
    acetophenone 228.68
    methyl propionate 190.15
    isopentyl acetate 911.37
    trichloroethylene 437.76
    n-nonanol 162.39
    cyclohexanol 222.94
    benzyl alcohol 121.26
    2-ethylhexanol 449.62
    isooctanol 154.48
    dipropyl ether 1529.07
    1,2-dichlorobenzene 236.07
    ethyl lactate 57.53
    propylene carbonate 134.72
    n-methylformamide 16.24
    2-pentanol 206.36
    n-pentane 278.35
    1-propoxy-2-propanol 419.82
    1-methoxy-2-propyl acetate 624.31
    2-(2-methoxypropoxy) propanol 320.05
    mesitylene 313.56
    ε-caprolactone 347.57
    p-cymene 362.41
    epichlorohydrin 364.31
    1,1,1-trichloroethane 395.13
    2-aminoethanol 12.12
    morpholine-4-carbaldehyde 181.99
    sulfolane 145.97
    2,2,4-trimethylpentane 138.73
    2-methyltetrahydrofuran 980.81
    n-hexyl acetate 430.38
    isooctane 117.54
    2-(2-butoxyethoxy)ethanol 373.49
    sec-butyl acetate 362.68
    tert-butyl acetate 567.22
    decalin 232.92
    glycerin 12.65
    diglyme 758.19
    acrylic acid 16.97
    isopropyl myristate 278.51
    n-butyric acid 156.66
    acetyl acetate 229.61
    di(2-ethylhexyl) phthalate 168.89
    ethyl propionate 291.35
    nitromethane 43.02
    1,2-diethoxyethane 1493.52
    benzonitrile 146.46
    trioctyl phosphate 100.39
    1-bromopropane 598.95
    gamma-valerolactone 299.82
    n-decanol 122.56
    triethyl phosphate 214.37
    4-methyl-2-pentanol 158.09
    propionitrile 99.5
    vinylene carbonate 94.86
    1,1,2-trichlorotrifluoroethane 103.82
    DMS 179.63
    cumene 263.04
    2-octanol 117.86
    2-hexanone 321.17
    octyl acetate 265.53
    limonene 578.08
    1,2-dimethoxyethane 456.49
    ethyl orthosilicate 281.07
    tributyl phosphate 135.76
    diacetone alcohol 231.88
    N,N-dimethylaniline 296.24
    acrylonitrile 52.54
    aniline 220.82
    1,3-propanediol 41.23
    bromobenzene 392.14
    dibromomethane 433.73
    1,1,2,2-tetrachloroethane 424.95
    2-methyl-cyclohexyl acetate 491.87
    tetrabutyl urea 172.04
    diisobutyl methanol 292.54
    2-phenylethanol 251.55
    styrene 388.54
    dioctyl adipate 326.13
    dimethyl sulfate 39.78
    ethyl butyrate 769.86
    methyl lactate 35.02
    butyl lactate 127.16
    diethyl carbonate 342.24
    propanediol butyl ether 94.24
    triethyl orthoformate 583.35
    p-tert-butyltoluene 369.46
    methyl 4-tert-butylbenzoate 284.54
    morpholine 701.07
    tert-butylamine 179.63
    n-dodecanol 99.38
    dimethoxymethane 169.79
    ethylene carbonate 102.5
    cyrene 124.85
    2-ethoxyethyl acetate 435.28
    2-ethylhexyl acetate 889.99
    1,2,4-trichlorobenzene 259.76
    4-methylpyridine 434.79
    dibutyl ether 752.48
    2,6-dimethyl-4-heptanol 292.54
    DEF 261.07
    dimethyl isosorbide 574.17
    tetrachloroethylene 241.12
    eugenol 177.26
    triacetin 267.52
    span 80 248.75
    1,4-butanediol 13.64
    1,1-dichloroethane 291.66
    2-methyl-1-pentanol 213.3
    methyl formate 11.81
    2-methyl-1-butanol 194.42
    n-decane 112.19
    butyronitrile 192.55
    3,7-dimethyl-1-octanol 224.46
    1-chlorooctane 274.5
    1-chlorotetradecane 116.92
    n-nonane 119.11
    undecane 74.6
    tert-butylcyclohexane 207.7
    cyclooctane 271.8
    cyclopentanol 108.31
    tetrahydropyran 1360.64
    tert-amyl methyl ether 640.08
    2,5,8-trioxanonane 536.73
    1-hexene 654.33
    2-isopropoxyethanol 135.5
    2,2,2-trifluoroethanol 6.35
    methyl butyrate 292.02

    Scent© AI

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