Abietane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    19407-12-6

    Molecular formula
    C20H36

    SMILES
    CC(C)[C@H]1CC[C@H]2[C@H](C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C

  • Odor profile

    Woody 80.37%
    Dry 50.41%
    Amber 44.0%
    Spicy 42.89%
    Green 42.28%
    Fresh 38.19%
    Pine 37.58%
    Sweet 37.04%
    Herbal 36.68%
    Cedar 35.24%

    Scent© AI

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    9.55 (weak base)

    Molecular weight
    276.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point est.
    170.12 ˚C

  • Synonyms

    • abietane
    • 19407-12-6
    • (2S,4aS,4bR,8aS,10aS)-4b,8,8-trimethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9,10,10a-dodecahydrophenanthrene
    • (4aR,4balpha,7alpha,8abeta,10aalpha)-Tetradecahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthrene
    • (-)-Abietane
    • CHEMBL5394544
    • CHEBI:35673
    • DTXSID90425889
    • STIVVCHBLMGYSL-ZYNAIFEFSA-N
    • Q3603698

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 278.35
    methanol 86.01
    isopropanol 334.88
    water 0.11
    ethyl acetate 1045.88
    n-propanol 427.43
    acetone 848.4
    n-butanol 588.88
    acetonitrile 283.52
    DMF 639.51
    toluene 1737.84
    isobutanol 414.64
    1,4-dioxane 1861.65
    methyl acetate 569.23
    THF 3818.92
    2-butanone 884.12
    n-pentanol 253.27
    sec-butanol 307.94
    n-hexane 431.94
    ethylene glycol 10.53
    NMP 635.87
    cyclohexane 1181.53
    DMSO 224.96
    n-butyl acetate 1639.92
    n-octanol 329.87
    chloroform 1119.63
    n-propyl acetate 559.48
    acetic acid 112.75
    dichloromethane 991.94
    cyclohexanone 1877.37
    propylene glycol 24.93
    isopropyl acetate 1118.52
    DMAc 546.83
    2-ethoxyethanol 226.47
    isopentanol 622.19
    n-heptane 625.19
    ethyl formate 278.52
    1,2-dichloroethane 988.38
    n-hexanol 826.34
    2-methoxyethanol 362.59
    isobutyl acetate 601.93
    tetrachloromethane 394.09
    n-pentyl acetate 818.08
    transcutol 1459.27
    n-heptanol 411.94
    ethylbenzene 494.71
    MIBK 981.18
    2-propoxyethanol 833.46
    tert-butanol 466.25
    MTBE 1418.48
    2-butoxyethanol 494.35
    propionic acid 163.92
    o-xylene 769.07
    formic acid 13.06
    diethyl ether 1962.76
    m-xylene 1177.46
    p-xylene 600.16
    chlorobenzene 872.12
    dimethyl carbonate 280.14
    n-octane 185.96
    formamide 28.99
    cyclopentanone 1627.43
    2-pentanone 1214.31
    anisole 593.8
    cyclopentyl methyl ether 2191.81
    gamma-butyrolactone 1099.16
    1-methoxy-2-propanol 411.89
    pyridine 1276.35
    3-pentanone 973.56
    furfural 621.73
    n-dodecane 80.52
    diethylene glycol 184.29
    diisopropyl ether 1080.81
    tert-amyl alcohol 354.52
    acetylacetone 1004.68
    n-hexadecane 99.47
    acetophenone 420.94
    methyl propionate 722.04
    isopentyl acetate 1622.4
    trichloroethylene 1129.97
    n-nonanol 328.68
    cyclohexanol 771.05
    benzyl alcohol 243.77
    2-ethylhexanol 720.74
    isooctanol 377.66
    dipropyl ether 1977.96
    1,2-dichlorobenzene 638.75
    ethyl lactate 141.65
    propylene carbonate 618.45
    n-methylformamide 172.07
    2-pentanol 471.6
    n-pentane 568.78
    1-propoxy-2-propanol 865.5
    1-methoxy-2-propyl acetate 1263.66
    2-(2-methoxypropoxy) propanol 389.87
    mesitylene 857.83
    ε-caprolactone 1302.11
    p-cymene 522.36
    epichlorohydrin 1244.07
    1,1,1-trichloroethane 1036.41
    2-aminoethanol 46.01
    morpholine-4-carbaldehyde 789.22
    sulfolane 741.3
    2,2,4-trimethylpentane 222.02
    2-methyltetrahydrofuran 2330.67
    n-hexyl acetate 978.45
    isooctane 247.87
    2-(2-butoxyethoxy)ethanol 562.27
    sec-butyl acetate 569.38
    tert-butyl acetate 1269.24
    decalin 299.69
    glycerin 38.36
    diglyme 1285.96
    acrylic acid 93.44
    isopropyl myristate 445.25
    n-butyric acid 508.52
    acetyl acetate 586.61
    di(2-ethylhexyl) phthalate 242.23
    ethyl propionate 596.96
    nitromethane 231.22
    1,2-diethoxyethane 1384.54
    benzonitrile 450.87
    trioctyl phosphate 227.5
    1-bromopropane 1146.35
    gamma-valerolactone 1497.64
    n-decanol 240.43
    triethyl phosphate 349.23
    4-methyl-2-pentanol 409.23
    propionitrile 475.64
    vinylene carbonate 486.3
    1,1,2-trichlorotrifluoroethane 326.08
    DMS 527.39
    cumene 343.25
    2-octanol 276.39
    2-hexanone 588.21
    octyl acetate 475.46
    limonene 860.87
    1,2-dimethoxyethane 861.85
    ethyl orthosilicate 409.91
    tributyl phosphate 263.51
    diacetone alcohol 609.69
    N,N-dimethylaniline 409.06
    acrylonitrile 324.63
    aniline 733.53
    1,3-propanediol 158.13
    bromobenzene 1103.6
    dibromomethane 896.72
    1,1,2,2-tetrachloroethane 913.5
    2-methyl-cyclohexyl acetate 682.15
    tetrabutyl urea 324.54
    diisobutyl methanol 493.36
    2-phenylethanol 497.92
    styrene 536.37
    dioctyl adipate 426.39
    dimethyl sulfate 275.17
    ethyl butyrate 1050.73
    methyl lactate 141.23
    butyl lactate 383.06
    diethyl carbonate 506.1
    propanediol butyl ether 221.18
    triethyl orthoformate 802.63
    p-tert-butyltoluene 584.93
    methyl 4-tert-butylbenzoate 547.28
    morpholine 1704.55
    tert-butylamine 540.57
    n-dodecanol 184.93
    dimethoxymethane 1085.13
    ethylene carbonate 541.92
    cyrene 253.49
    2-ethoxyethyl acetate 880.3
    2-ethylhexyl acetate 1389.94
    1,2,4-trichlorobenzene 637.93
    4-methylpyridine 1404.06
    dibutyl ether 1009.61
    2,6-dimethyl-4-heptanol 493.36
    DEF 979.05
    dimethyl isosorbide 842.71
    tetrachloroethylene 627.5
    eugenol 340.45
    triacetin 560.62
    span 80 349.6
    1,4-butanediol 38.88
    1,1-dichloroethane 937.58
    2-methyl-1-pentanol 288.22
    methyl formate 140.97
    2-methyl-1-butanol 519.96
    n-decane 182.26
    butyronitrile 688.24
    3,7-dimethyl-1-octanol 411.02
    1-chlorooctane 478.19
    1-chlorotetradecane 172.64
    n-nonane 197.67
    undecane 115.01
    tert-butylcyclohexane 260.03
    cyclooctane 543.92
    cyclopentanol 515.75
    tetrahydropyran 3214.18
    tert-amyl methyl ether 951.47
    2,5,8-trioxanonane 650.63
    1-hexene 693.42
    2-isopropoxyethanol 247.7
    2,2,2-trifluoroethanol 49.22
    methyl butyrate 639.62

    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

Botanical

Name CAS Botanical Proportion
Sage, spanish 2 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 8.3%