Stemar-13-ene

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  • Identifiers

    CAS number
    138883-56-4

    Molecular formula
    C20H32

    SMILES
    CC1=C[C@@H]2CC[C@@H]3[C@@]([C@@]24CC[C@@H]1C4)(CCCC3(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.33%
    Dry 54.01%
    Sweet 50.9%
    Amber 49.89%
    Cedar 40.49%
    Spicy 37.52%
    Musk 33.47%
    Sandalwood 32.36%
    Green 31.64%
    Balsamic 31.39%

     

    Flavor
    Sweet 60.7%
    Woody 48.37%
    Dry 45.56%
    Wood 36.88%
    Pine 31.18%
    Camphor 30.85%
    Fresh 30.65%
    Earthy 29.44%
    Fir needle 29.3%
    Balsamic 28.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    9.39 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 155.77 ˚C est.

  • Synonyms

    • stemar-13-ene
    • CHEBI:50069
    • (4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta[a]naphthalene
    • (1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene
    • (1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo(11.2.1.01,10.02,7)hexadec-11-ene
    • (4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta(a)naphthalene
    • RefChem:932209
    • Stemarene
    • (+)-13-Stemarene
    • syn-Stemar-13-ene
    • (+)-Stemar-13-ene
    • SCHEMBL29575494
    • DTXSID501027117
    • LMPR0104030008
    • 138883-56-4
    • C18223
    • Q7607306
    • 138883-56-4

  • Applications

    Stemar-13-ene (CAS 138883-56-4) is a sesquiterpene hydrocarbon primarily used as a fragrance ingredient. In perfumery, cosmetics and personal care, it can act as an odorant or as a component contributing woody and herbal notes. It is commonly evaluated as a fragrance intermediate or building block in aroma-chemical synthesis. In household products, coatings and inks, it may be included as a scent additive or fixative to extend fragrance persistence. In industrial manufacturing, Stemar-13-ene may serve as a starting material for the synthesis of aroma compounds and fragrance formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.8
    methanol 11.31
    isopropanol 30.08
    water 0.11
    ethyl acetate 125.75
    n-propanol 41.07
    acetone 108.01
    n-butanol 60.44
    acetonitrile 41.57
    DMF 98.68
    toluene 397.31
    isobutanol 41.62
    1,4-dioxane 260.49
    methyl acetate 78.12
    THF 543.26
    2-butanone 128.03
    n-pentanol 34.09
    sec-butanol 28.08
    n-hexane 26.01
    ethylene glycol 2.7
    NMP 168.54
    cyclohexane 88.44
    DMSO 32.03
    n-butyl acetate 175.79
    n-octanol 51.1
    chloroform 257.49
    n-propyl acetate 80.47
    acetic acid 19.9
    dichloromethane 194.89
    cyclohexanone 297.96
    propylene glycol 5.47
    isopropyl acetate 143.31
    DMAc 119.28
    2-ethoxyethanol 35.71
    isopentanol 67.69
    n-heptane 47.38
    ethyl formate 39.51
    1,2-dichloroethane 134.45
    n-hexanol 95.66
    2-methoxyethanol 49.54
    isobutyl acetate 98.71
    tetrachloromethane 70.35
    n-pentyl acetate 128.88
    transcutol 188.88
    n-heptanol 64.04
    ethylbenzene 125.52
    MIBK 151.58
    2-propoxyethanol 124.73
    tert-butanol 41.58
    MTBE 107.23
    2-butoxyethanol 86.3
    propionic acid 28.0
    o-xylene 182.48
    formic acid 3.72
    diethyl ether 153.46
    m-xylene 263.57
    p-xylene 147.79
    chlorobenzene 202.13
    dimethyl carbonate 62.12
    n-octane 16.03
    formamide 7.95
    cyclopentanone 326.18
    2-pentanone 159.37
    anisole 174.43
    cyclopentyl methyl ether 311.52
    gamma-butyrolactone 220.63
    1-methoxy-2-propanol 65.77
    pyridine 280.38
    3-pentanone 143.19
    furfural 155.58
    n-dodecane 10.53
    diethylene glycol 41.29
    diisopropyl ether 93.9
    tert-amyl alcohol 34.34
    acetylacetone 177.59
    n-hexadecane 13.14
    acetophenone 144.12
    methyl propionate 111.03
    isopentyl acetate 206.32
    trichloroethylene 244.04
    n-nonanol 57.51
    cyclohexanol 92.31
    benzyl alcohol 74.3
    2-ethylhexanol 91.36
    isooctanol 61.51
    dipropyl ether 181.54
    1,2-dichlorobenzene 182.38
    ethyl lactate 34.09
    propylene carbonate 126.34
    n-methylformamide 27.51
    2-pentanol 49.23
    n-pentane 37.43
    1-propoxy-2-propanol 118.39
    1-methoxy-2-propyl acetate 221.46
    2-(2-methoxypropoxy) propanol 93.59
    mesitylene 174.41
    ε-caprolactone 222.29
    p-cymene 120.47
    epichlorohydrin 203.34
    1,1,1-trichloroethane 169.47
    2-aminoethanol 8.47
    morpholine-4-carbaldehyde 186.19
    sulfolane 160.97
    2,2,4-trimethylpentane 19.79
    2-methyltetrahydrofuran 273.91
    n-hexyl acetate 149.34
    isooctane 23.71
    2-(2-butoxyethoxy)ethanol 110.54
    sec-butyl acetate 90.81
    tert-butyl acetate 175.45
    decalin 43.51
    glycerin 9.57
    diglyme 214.31
    acrylic acid 21.6
    isopropyl myristate 85.63
    n-butyric acid 71.69
    acetyl acetate 99.88
    di(2-ethylhexyl) phthalate 70.8
    ethyl propionate 97.89
    nitromethane 42.44
    1,2-diethoxyethane 141.55
    benzonitrile 120.06
    trioctyl phosphate 55.65
    1-bromopropane 131.34
    gamma-valerolactone 310.14
    n-decanol 43.69
    triethyl phosphate 77.97
    4-methyl-2-pentanol 52.3
    propionitrile 72.68
    vinylene carbonate 120.29
    1,1,2-trichlorotrifluoroethane 78.04
    DMS 123.35
    cumene 89.27
    2-octanol 43.97
    2-hexanone 91.12
    octyl acetate 87.94
    limonene 143.6
    1,2-dimethoxyethane 117.82
    ethyl orthosilicate 85.29
    tributyl phosphate 58.43
    diacetone alcohol 102.57
    N,N-dimethylaniline 125.78
    acrylonitrile 60.38
    aniline 156.99
    1,3-propanediol 23.46
    bromobenzene 276.25
    dibromomethane 154.27
    1,1,2,2-tetrachloroethane 179.24
    2-methyl-cyclohexyl acetate 144.84
    tetrabutyl urea 79.57
    diisobutyl methanol 74.19
    2-phenylethanol 133.24
    styrene 142.74
    dioctyl adipate 100.48
    dimethyl sulfate 67.67
    ethyl butyrate 147.08
    methyl lactate 36.12
    butyl lactate 73.62
    diethyl carbonate 89.13
    propanediol butyl ether 46.49
    triethyl orthoformate 130.54
    p-tert-butyltoluene 129.05
    methyl 4-tert-butylbenzoate 158.99
    morpholine 219.88
    tert-butylamine 43.13
    n-dodecanol 34.13
    dimethoxymethane 153.5
    ethylene carbonate 109.97
    cyrene 94.25
    2-ethoxyethyl acetate 154.93
    2-ethylhexyl acetate 188.17
    1,2,4-trichlorobenzene 202.45
    4-methylpyridine 284.68
    dibutyl ether 98.34
    2,6-dimethyl-4-heptanol 74.19
    DEF 136.92
    dimethyl isosorbide 223.54
    tetrachloroethylene 123.33
    eugenol 115.23
    triacetin 131.49
    span 80 86.09
    1,4-butanediol 8.24
    1,1-dichloroethane 128.52
    2-methyl-1-pentanol 43.23
    methyl formate 24.6
    2-methyl-1-butanol 56.53
    n-decane 20.81
    butyronitrile 84.36
    3,7-dimethyl-1-octanol 65.67
    1-chlorooctane 62.95
    1-chlorotetradecane 28.92
    n-nonane 18.22
    undecane 14.21
    tert-butylcyclohexane 34.18
    cyclooctane 47.22
    cyclopentanol 70.34
    tetrahydropyran 341.57
    tert-amyl methyl ether 91.01
    2,5,8-trioxanonane 149.05
    1-hexene 60.3
    2-isopropoxyethanol 41.36
    2,2,2-trifluoroethanol 12.48
    methyl butyrate 98.63

    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