12-Methyl-1-tridecanol

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  • Identifiers

    CAS number
    21987-21-3

    Molecular formula
    C14H30O

    SMILES
    CC(C)CCCCCCCCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.35%
    Oily 55.47%
    Fatty 55.13%
    Floral 53.81%
    Fruity 42.19%
    Fresh 40.61%
    Citrus 39.11%
    Clean 38.25%
    Sweet 37.99%
    Rose 37.36%

     

    Flavor
    Waxy 62.86%
    Floral 45.16%
    Fresh 39.54%
    Fatty 39.05%
    Soapy 36.53%
    Fat 35.37%
    Oily 34.07%
    Mild 33.95%
    Citrus 33.49%
    Flower 33.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.97 (neutral)

    Molecular weight
    214.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point

    • 133.6 ˚C est.

  • Synonyms

    • 12-METHYL-1-TRIDECANOL
    • RefChem:437350
    • 12-methyltridecan-1-ol
    • 21987-21-3
    • 12-Methyltridecanol
    • methyltridecanol
    • 12-Methyl-tridecanol
    • SCHEMBL258734
    • SCHEMBL3098027
    • CHEBI:84909
    • DTXSID80871331
    • MFCD22051637
    • AKOS025396876
    • DB-354369
    • Q27158173
    • 21987-21-3

  • Applications

    12-Methyl-1-tridecanol is a long-chain branched primary alcohol used across several industries as a fragrance ingredient and potential fixative in perfumery; as an emollient and texture-enhancing component in cosmetics and personal care; as a lubricant or processing aid in industrial manufacturing; as a plasticizer or processing aid in polymers and plastics; as a precursor or intermediate for fragrance esters and other specialty chemicals in chemical synthesis; and can serve as an additive in coatings and inks formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2707.73
    methanol 1104.24
    isopropanol 4076.75
    water 0.01
    ethyl acetate 3108.74
    n-propanol 3092.9
    acetone 3716.22
    n-butanol 3465.95
    acetonitrile 1007.92
    DMF 1425.7
    toluene 866.34
    isobutanol 2747.93
    1,4-dioxane 3204.35
    methyl acetate 1482.88
    THF 8276.13
    2-butanone 3275.26
    n-pentanol 2187.19
    sec-butanol 3427.69
    n-hexane 2585.53
    ethylene glycol 60.68
    NMP 1123.19
    cyclohexane 3358.93
    DMSO 2480.11
    n-butyl acetate 4246.82
    n-octanol 928.6
    chloroform 3290.01
    n-propyl acetate 3007.87
    acetic acid 673.53
    dichloromethane 3127.92
    cyclohexanone 4598.14
    propylene glycol 271.68
    isopropyl acetate 2563.54
    DMAc 1010.27
    2-ethoxyethanol 1734.98
    isopentanol 3317.87
    n-heptane 2167.13
    ethyl formate 1003.07
    1,2-dichloroethane 2815.91
    n-hexanol 2807.3
    2-methoxyethanol 2308.38
    isobutyl acetate 1800.77
    tetrachloromethane 1015.59
    n-pentyl acetate 2107.29
    transcutol 5157.78
    n-heptanol 1191.29
    ethylbenzene 602.35
    MIBK 2395.27
    2-propoxyethanol 2708.52
    tert-butanol 5291.3
    MTBE 5589.04
    2-butoxyethanol 1720.18
    propionic acid 898.94
    o-xylene 558.3
    formic acid 52.62
    diethyl ether 5706.39
    m-xylene 643.34
    p-xylene 775.55
    chlorobenzene 934.07
    dimethyl carbonate 219.25
    n-octane 485.43
    formamide 112.34
    cyclopentanone 3739.4
    2-pentanone 4016.24
    anisole 876.89
    cyclopentyl methyl ether 4312.57
    gamma-butyrolactone 2532.89
    1-methoxy-2-propanol 2631.13
    pyridine 1948.03
    3-pentanone 2042.94
    furfural 1267.72
    n-dodecane 151.09
    diethylene glycol 697.25
    diisopropyl ether 2110.44
    tert-amyl alcohol 3497.82
    acetylacetone 2000.59
    n-hexadecane 182.41
    acetophenone 773.42
    methyl propionate 1453.18
    isopentyl acetate 3635.04
    trichloroethylene 2927.62
    n-nonanol 853.39
    cyclohexanol 3431.18
    benzyl alcohol 607.35
    2-ethylhexanol 2242.9
    isooctanol 1227.53
    dipropyl ether 6283.97
    1,2-dichlorobenzene 839.93
    ethyl lactate 595.47
    propylene carbonate 1440.81
    n-methylformamide 579.98
    2-pentanol 3125.91
    n-pentane 1620.66
    1-propoxy-2-propanol 3318.28
    1-methoxy-2-propyl acetate 2162.67
    2-(2-methoxypropoxy) propanol 860.78
    mesitylene 524.41
    ε-caprolactone 2984.79
    p-cymene 615.03
    epichlorohydrin 3222.14
    1,1,1-trichloroethane 2852.46
    2-aminoethanol 360.23
    morpholine-4-carbaldehyde 1499.67
    sulfolane 2635.9
    2,2,4-trimethylpentane 477.84
    2-methyltetrahydrofuran 6048.58
    n-hexyl acetate 2052.12
    isooctane 473.37
    2-(2-butoxyethoxy)ethanol 1535.48
    sec-butyl acetate 2208.3
    tert-butyl acetate 2898.87
    decalin 657.94
    glycerin 253.82
    diglyme 3123.88
    acrylic acid 348.22
    isopropyl myristate 750.17
    n-butyric acid 2917.71
    acetyl acetate 974.28
    di(2-ethylhexyl) phthalate 365.33
    ethyl propionate 2121.46
    nitromethane 1055.61
    1,2-diethoxyethane 3828.37
    benzonitrile 835.28
    trioctyl phosphate 386.55
    1-bromopropane 3715.29
    gamma-valerolactone 3382.51
    n-decanol 579.7
    triethyl phosphate 750.12
    4-methyl-2-pentanol 1652.7
    propionitrile 1579.63
    vinylene carbonate 807.35
    1,1,2-trichlorotrifluoroethane 1514.17
    DMS 594.67
    cumene 461.24
    2-octanol 917.05
    2-hexanone 3095.65
    octyl acetate 760.66
    limonene 1475.65
    1,2-dimethoxyethane 4000.12
    ethyl orthosilicate 919.78
    tributyl phosphate 517.74
    diacetone alcohol 2202.44
    N,N-dimethylaniline 594.09
    acrylonitrile 921.77
    aniline 902.22
    1,3-propanediol 1002.88
    bromobenzene 1072.15
    dibromomethane 2867.48
    1,1,2,2-tetrachloroethane 3121.49
    2-methyl-cyclohexyl acetate 1508.54
    tetrabutyl urea 628.14
    diisobutyl methanol 1509.54
    2-phenylethanol 821.25
    styrene 676.74
    dioctyl adipate 835.94
    dimethyl sulfate 349.17
    ethyl butyrate 3389.73
    methyl lactate 396.07
    butyl lactate 1110.39
    diethyl carbonate 1310.24
    propanediol butyl ether 945.88
    triethyl orthoformate 2131.02
    p-tert-butyltoluene 631.4
    methyl 4-tert-butylbenzoate 767.42
    morpholine 5033.69
    tert-butylamine 4319.07
    n-dodecanol 425.14
    dimethoxymethane 1643.76
    ethylene carbonate 1022.06
    cyrene 569.8
    2-ethoxyethyl acetate 1639.77
    2-ethylhexyl acetate 2902.66
    1,2,4-trichlorobenzene 880.87
    4-methylpyridine 1913.59
    dibutyl ether 3411.91
    2,6-dimethyl-4-heptanol 1509.54
    DEF 2505.46
    dimethyl isosorbide 1440.14
    tetrachloroethylene 1986.06
    eugenol 572.56
    triacetin 1021.88
    span 80 937.24
    1,4-butanediol 323.55
    1,1-dichloroethane 3403.6
    2-methyl-1-pentanol 1798.78
    methyl formate 322.59
    2-methyl-1-butanol 2681.57
    n-decane 393.61
    butyronitrile 2696.53
    3,7-dimethyl-1-octanol 1228.28
    1-chlorooctane 1107.06
    1-chlorotetradecane 321.28
    n-nonane 482.93
    undecane 229.46
    tert-butylcyclohexane 611.41
    cyclooctane 830.42
    cyclopentanol 2810.0
    tetrahydropyran 8196.96
    tert-amyl methyl ether 2949.19
    2,5,8-trioxanonane 1433.35
    1-hexene 4260.81
    2-isopropoxyethanol 1535.07
    2,2,2-trifluoroethanol 138.79
    methyl butyrate 2868.32

    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