Abieta-7,13-diene

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  • Identifiers

    CAS number
    35241-40-8

    Molecular formula
    C20H32

    SMILES
    CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCCC3(C)C)C

    Retention indicies (RI)

    • DB5: 2080.0

  • Odor profile

    Woody 90.52%
    Spicy 55.07%
    Dry 53.62%
    Amber 48.89%
    Cedar 43.99%
    Sweet 40.23%
    Herbal 39.16%
    Balsamic 38.18%
    Camphoreous 37.26%
    Pine 36.79%

    Scent© AI

  • Properties

    XLogP3-AA
    6.3

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point est.
    168.49 ˚C

  • Synonyms

    • abieta-7,13-diene
    • Abietadiene
    • (-)-Abietadiene
    • 35241-40-8
    • abieta-7(8),13(14)-diene
    • (4aS,4bR,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene
    • (4aS,4bR,10aS)-7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene
    • syn-abeita-7,13-diene
    • MLS003468551
    • CHEBI:30232
    • DTXSID40332099
    • phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bR,10aS)-
    • LMPR0104050002
    • SMR002134486
    • Q27104115
    • 7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene
    • InChI=1/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.47
    methanol 13.02
    isopropanol 50.33
    water 0.02
    ethyl acetate 240.28
    n-propanol 70.34
    acetone 140.07
    n-butanol 111.72
    acetonitrile 36.34
    DMF 132.04
    toluene 751.23
    isobutanol 75.5
    1,4-dioxane 442.8
    methyl acetate 114.27
    THF 850.01
    2-butanone 208.15
    n-pentanol 62.6
    sec-butanol 59.95
    n-hexane 119.92
    ethylene glycol 1.89
    NMP 225.21
    cyclohexane 309.06
    DMSO 39.33
    n-butyl acetate 381.04
    n-octanol 79.54
    chloroform 359.92
    n-propyl acetate 141.47
    acetic acid 22.95
    dichloromethane 290.42
    cyclohexanone 492.19
    propylene glycol 5.15
    isopropyl acetate 267.16
    DMAc 201.28
    2-ethoxyethanol 52.61
    isopentanol 133.34
    n-heptane 146.63
    ethyl formate 49.56
    1,2-dichloroethane 258.69
    n-hexanol 202.98
    2-methoxyethanol 69.27
    isobutyl acetate 170.22
    tetrachloromethane 101.62
    n-pentyl acetate 241.09
    transcutol 486.91
    n-heptanol 101.31
    ethylbenzene 236.76
    MIBK 260.27
    2-propoxyethanol 209.64
    tert-butanol 72.66
    MTBE 308.74
    2-butoxyethanol 127.45
    propionic acid 31.65
    o-xylene 338.26
    formic acid 2.99
    diethyl ether 457.46
    m-xylene 483.57
    p-xylene 273.2
    chlorobenzene 303.67
    dimethyl carbonate 74.55
    n-octane 43.66
    formamide 5.69
    cyclopentanone 407.65
    2-pentanone 291.16
    anisole 251.39
    cyclopentyl methyl ether 629.63
    gamma-butyrolactone 248.55
    1-methoxy-2-propanol 89.51
    pyridine 398.53
    3-pentanone 286.09
    furfural 172.92
    n-dodecane 22.79
    diethylene glycol 45.77
    diisopropyl ether 251.75
    tert-amyl alcohol 77.82
    acetylacetone 254.86
    n-hexadecane 28.5
    acetophenone 192.67
    methyl propionate 178.26
    isopentyl acetate 438.94
    trichloroethylene 389.98
    n-nonanol 90.88
    cyclohexanol 177.58
    benzyl alcohol 90.03
    2-ethylhexanol 205.66
    isooctanol 102.97
    dipropyl ether 459.34
    1,2-dichlorobenzene 254.36
    ethyl lactate 42.03
    propylene carbonate 160.48
    n-methylformamide 26.15
    2-pentanol 101.01
    n-pentane 140.69
    1-propoxy-2-propanol 206.76
    1-methoxy-2-propyl acetate 401.93
    2-(2-methoxypropoxy) propanol 164.77
    mesitylene 313.94
    ε-caprolactone 363.3
    p-cymene 211.73
    epichlorohydrin 317.61
    1,1,1-trichloroethane 294.81
    2-aminoethanol 7.89
    morpholine-4-carbaldehyde 263.58
    sulfolane 201.36
    2,2,4-trimethylpentane 64.03
    2-methyltetrahydrofuran 625.3
    n-hexyl acetate 300.38
    isooctane 63.28
    2-(2-butoxyethoxy)ethanol 199.4
    sec-butyl acetate 177.87
    tert-butyl acetate 330.93
    decalin 112.8
    glycerin 8.25
    diglyme 390.27
    acrylic acid 20.81
    isopropyl myristate 154.34
    n-butyric acid 101.27
    acetyl acetate 154.01
    di(2-ethylhexyl) phthalate 107.89
    ethyl propionate 163.62
    nitromethane 40.54
    1,2-diethoxyethane 391.53
    benzonitrile 140.8
    trioctyl phosphate 82.78
    1-bromopropane 333.59
    gamma-valerolactone 392.0
    n-decanol 70.11
    triethyl phosphate 135.14
    4-methyl-2-pentanol 98.71
    propionitrile 77.44
    vinylene carbonate 133.44
    1,1,2-trichlorotrifluoroethane 98.54
    DMS 200.79
    cumene 160.23
    2-octanol 70.16
    2-hexanone 164.13
    octyl acetate 161.49
    limonene 297.58
    1,2-dimethoxyethane 193.82
    ethyl orthosilicate 154.4
    tributyl phosphate 97.13
    diacetone alcohol 164.96
    N,N-dimethylaniline 198.66
    acrylonitrile 55.46
    aniline 237.2
    1,3-propanediol 26.98
    bromobenzene 419.22
    dibromomethane 264.72
    1,1,2,2-tetrachloroethane 316.8
    2-methyl-cyclohexyl acetate 269.68
    tetrabutyl urea 129.83
    diisobutyl methanol 138.16
    2-phenylethanol 187.96
    styrene 242.32
    dioctyl adipate 171.09
    dimethyl sulfate 77.35
    ethyl butyrate 288.89
    methyl lactate 37.82
    butyl lactate 108.33
    diethyl carbonate 161.38
    propanediol butyl ether 61.51
    triethyl orthoformate 251.88
    p-tert-butyltoluene 226.32
    methyl 4-tert-butylbenzoate 235.14
    morpholine 397.07
    tert-butylamine 89.21
    n-dodecanol 55.85
    dimethoxymethane 224.79
    ethylene carbonate 131.03
    cyrene 112.47
    2-ethoxyethyl acetate 294.01
    2-ethylhexyl acetate 426.88
    1,2,4-trichlorobenzene 279.56
    4-methylpyridine 470.6
    dibutyl ether 249.68
    2,6-dimethyl-4-heptanol 138.16
    DEF 266.59
    dimethyl isosorbide 348.24
    tetrachloroethylene 204.65
    eugenol 152.31
    triacetin 214.88
    span 80 136.32
    1,4-butanediol 8.18
    1,1-dichloroethane 226.18
    2-methyl-1-pentanol 88.42
    methyl formate 22.19
    2-methyl-1-butanol 125.37
    n-decane 46.58
    butyronitrile 113.7
    3,7-dimethyl-1-octanol 124.34
    1-chlorooctane 135.59
    1-chlorotetradecane 58.95
    n-nonane 44.81
    undecane 31.16
    tert-butylcyclohexane 91.06
    cyclooctane 153.99
    cyclopentanol 100.91
    tetrahydropyran 802.56
    tert-amyl methyl ether 261.39
    2,5,8-trioxanonane 254.57
    1-hexene 211.3
    2-isopropoxyethanol 65.6
    2,2,2-trifluoroethanol 10.46
    methyl butyrate 162.79

    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
Cedarleaf (U.S.A.) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.05%
Juniperus rigida (Japan) 2 Juniperus rigida Mig., fam. Cupressaceae 0.1%
Juniperus rigida (China) Juniperus rigida Mig., fam. Cupressaceae 0.05%
Juniperus rigida (Korea) Juniperus rigida Mig., fam. Cupressaceae 0.05%
Hyptis suaveolens (Nigeria) Hyptis suaveolens (L.) Poit., fam. Lamiaceae (Labiatae) 0.3%
Pinus pumila 2 Pinus pumila (Pall.) Regel, fam. Pinaceae 0.1%
Polylepis besseri (Bolivia) Polylepis besseri Hieron. ssp. besseri, fam. Rosaceae 40.3%