Farnesane

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  • Identifiers

    CAS number
    3891-98-3

    Molecular formula
    C15H32

    SMILES
    CCC(C)CCCC(C)CCCC(C)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 59.61%
    Oily 41.03%
    Herbal 33.98%
    Fresh 33.41%
    Sweet 30.57%
    Green 30.34%
    Woody 27.78%
    Citrus 26.65%
    Floral 25.41%
    Balsamic 25.4%

     

    Flavor
    Alkane 32.27%
    Waxy 24.51%
    Delicate 23.45%
    Leathery 21.13%
    Yeasty 20.64%
    Skunky 20.42%
    Gasoline 20.32%
    Slightly waxy 20.02%
    Bloody 19.97%
    Oriental 19.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    9.23 (weak base)

    Molecular weight
    212.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 106.08 ˚C est.

  • Synonyms

    • 2,6,10-TRIMETHYLDODECANE
    • Farnesane
    • 3891-98-3
    • Dodecane, 2,6,10-trimethyl-
    • HEMISQUALANE
    • 8X81V0IT6Q
    • NEOSSANCE TMD
    • UNII-8X81V0IT6Q
    • DTXSID1058634
    • CHEBI:36756
    • EC 622-542-2
    • RefChem:139947
    • Dodecane, 2,6,10trimethyl
    • DTXCID9032321
    • YFHFHLSMISYUAQ-UHFFFAOYSA-N
    • Farnesan
    • Dodecane,2,6,10-trimethyl-
    • MFCD00027077
    • 2,6,10-Trimethyldodecane; Farnesan;
    • A1IW0
    • 2,6,10-trimethyl dodecane
    • 2,6,10-trimethyl-dodecane
    • SCHEMBL100706
    • SCHEMBL1269942
    • SCHEMBL5691916
    • SCHEMBL9257324
    • SCHEMBL10483579
    • SCHEMBL10989890
    • SCHEMBL28248627
    • AKOS024334439
    • AS-58771
    • CS-0452006
    • NS00005258
    • E78326
    • Q27116951
    • 7B5
    • 3891-98-3

  • Applications

    Farnesane, a saturated C15 hydrocarbon hydrogenated from farnesene, is commonly considered a renewable hydrocarbon solvent and base oil. Real-world applications include use as a non-polar solvent and processing aid in coatings, paints, inks, and adhesives; as a base stock or solvent component for cosmetics and personal care products; evaluated as a renewable jet fuel blending component for aviation fuels; used in cleaning formulations and industrial degreasers; and employed as a processing aid or solvent in polymer and plastics manufacturing. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1350.9
    methanol 362.66
    isopropanol 1843.94
    water 0.01
    ethyl acetate 5168.12
    n-propanol 1791.63
    acetone 2715.63
    n-butanol 2788.82
    acetonitrile 819.64
    DMF 802.0
    toluene 3542.71
    isobutanol 1747.24
    1,4-dioxane 6677.59
    methyl acetate 2028.37
    THF 11943.79
    2-butanone 3658.98
    n-pentanol 2162.23
    sec-butanol 2564.6
    n-hexane 9679.71
    ethylene glycol 22.91
    NMP 1174.76
    cyclohexane 12423.27
    DMSO 1076.67
    n-butyl acetate 13598.8
    n-octanol 2096.98
    chloroform 4812.71
    n-propyl acetate 4282.41
    acetic acid 390.34
    dichloromethane 4289.83
    cyclohexanone 6337.47
    propylene glycol 110.34
    isopropyl acetate 4880.04
    DMAc 1089.48
    2-ethoxyethanol 1372.08
    isopentanol 3410.51
    n-heptane 15883.64
    ethyl formate 1077.95
    1,2-dichloroethane 3926.17
    n-hexanol 5798.82
    2-methoxyethanol 1258.45
    isobutyl acetate 3580.69
    tetrachloromethane 1509.56
    n-pentyl acetate 4335.36
    transcutol 8205.89
    n-heptanol 2314.78
    ethylbenzene 2278.79
    MIBK 4111.0
    2-propoxyethanol 3778.65
    tert-butanol 3957.0
    MTBE 12125.46
    2-butoxyethanol 2141.64
    propionic acid 600.5
    o-xylene 1963.93
    formic acid 20.53
    diethyl ether 11682.2
    m-xylene 2390.18
    p-xylene 2772.53
    chlorobenzene 2124.31
    dimethyl carbonate 319.63
    n-octane 3061.6
    formamide 44.63
    cyclopentanone 3934.41
    2-pentanone 4971.29
    anisole 2409.75
    cyclopentyl methyl ether 8596.72
    gamma-butyrolactone 2336.96
    1-methoxy-2-propanol 1583.07
    pyridine 3591.79
    3-pentanone 3247.78
    furfural 1295.65
    n-dodecane 1115.03
    diethylene glycol 592.9
    diisopropyl ether 6856.4
    tert-amyl alcohol 3971.81
    acetylacetone 2918.46
    n-hexadecane 1334.88
    acetophenone 1478.87
    methyl propionate 1909.78
    isopentyl acetate 12062.61
    trichloroethylene 3892.16
    n-nonanol 2212.58
    cyclohexanol 3748.6
    benzyl alcohol 831.4
    2-ethylhexanol 8087.5
    isooctanol 2514.72
    dipropyl ether 23087.51
    1,2-dichlorobenzene 1667.8
    ethyl lactate 575.16
    propylene carbonate 1644.01
    n-methylformamide 249.19
    2-pentanol 3240.58
    n-pentane 5321.76
    1-propoxy-2-propanol 5579.13
    1-methoxy-2-propyl acetate 5757.26
    2-(2-methoxypropoxy) propanol 1811.61
    mesitylene 1974.97
    ε-caprolactone 4554.67
    p-cymene 3209.31
    epichlorohydrin 3856.83
    1,1,1-trichloroethane 4904.67
    2-aminoethanol 136.49
    morpholine-4-carbaldehyde 1705.56
    sulfolane 2070.24
    2,2,4-trimethylpentane 2063.1
    2-methyltetrahydrofuran 12189.61
    n-hexyl acetate 5034.99
    isooctane 2119.13
    2-(2-butoxyethoxy)ethanol 2803.36
    sec-butyl acetate 4362.71
    tert-butyl acetate 6584.02
    decalin 3407.71
    glycerin 105.95
    diglyme 5828.03
    acrylic acid 212.62
    isopropyl myristate 2832.23
    n-butyric acid 2363.82
    acetyl acetate 1914.26
    di(2-ethylhexyl) phthalate 885.0
    ethyl propionate 3574.01
    nitromethane 581.24
    1,2-diethoxyethane 11404.51
    benzonitrile 1312.01
    trioctyl phosphate 1036.84
    1-bromopropane 6824.84
    gamma-valerolactone 3534.12
    n-decanol 1689.75
    triethyl phosphate 2166.63
    4-methyl-2-pentanol 2391.54
    propionitrile 1540.23
    vinylene carbonate 938.99
    1,1,2-trichlorotrifluoroethane 1065.99
    DMS 1259.24
    cumene 1668.63
    2-octanol 1904.9
    2-hexanone 4962.97
    octyl acetate 2628.22
    limonene 7388.3
    1,2-dimethoxyethane 5472.91
    ethyl orthosilicate 2955.61
    tributyl phosphate 1379.1
    diacetone alcohol 2795.12
    N,N-dimethylaniline 1693.71
    acrylonitrile 744.55
    aniline 1629.29
    1,3-propanediol 490.22
    bromobenzene 2764.63
    dibromomethane 4538.26
    1,1,2,2-tetrachloroethane 4143.6
    2-methyl-cyclohexyl acetate 5030.64
    tetrabutyl urea 1678.42
    diisobutyl methanol 5134.39
    2-phenylethanol 1914.64
    styrene 2354.91
    dioctyl adipate 2329.44
    dimethyl sulfate 340.08
    ethyl butyrate 10482.26
    methyl lactate 315.26
    butyl lactate 1501.83
    diethyl carbonate 3965.75
    propanediol butyl ether 883.65
    triethyl orthoformate 7713.41
    p-tert-butyltoluene 3367.09
    methyl 4-tert-butylbenzoate 1641.88
    morpholine 6910.09
    tert-butylamine 4779.01
    n-dodecanol 1428.59
    dimethoxymethane 1715.76
    ethylene carbonate 1263.51
    cyrene 726.9
    2-ethoxyethyl acetate 3434.27
    2-ethylhexyl acetate 10939.29
    1,2,4-trichlorobenzene 1720.27
    4-methylpyridine 3891.2
    dibutyl ether 12621.01
    2,6-dimethyl-4-heptanol 5134.39
    DEF 3338.66
    dimethyl isosorbide 3089.99
    tetrachloroethylene 2270.31
    eugenol 954.27
    triacetin 1977.38
    span 80 1897.62
    1,4-butanediol 166.92
    1,1-dichloroethane 4221.75
    2-methyl-1-pentanol 2669.36
    methyl formate 170.61
    2-methyl-1-butanol 2765.14
    n-decane 2461.52
    butyronitrile 3327.07
    3,7-dimethyl-1-octanol 3534.22
    1-chlorooctane 4304.65
    1-chlorotetradecane 1523.86
    n-nonane 2935.14
    undecane 1544.11
    tert-butylcyclohexane 3089.82
    cyclooctane 4986.24
    cyclopentanol 2206.13
    tetrahydropyran 15464.97
    tert-amyl methyl ether 7542.43
    2,5,8-trioxanonane 2851.63
    1-hexene 11824.17
    2-isopropoxyethanol 1565.51
    2,2,2-trifluoroethanol 67.62
    methyl butyrate 4254.88

    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