Isotridecanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85763-57-1

    Molecular formula
    C13H28O

    SMILES
    CC(C)CCCCCCCCCCO

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 69.97%
    Floral 60.87%
    Oily 56.26%
    Fatty 54.31%
    Rose 44.91%
    Fresh 44.87%
    Citrus 44.64%
    Fruity 44.2%
    Sweet 42.44%
    Clean 40.66%

     

    Flavor
    Waxy 63.82%
    Floral 50.87%
    Fresh 43.24%
    Fatty 39.91%
    Citrus 38.65%
    Soapy 38.38%
    Fat 36.36%
    Oily 35.51%
    Rose 34.24%
    Clean 33.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    8.13 (weak base)

    Molecular weight
    200.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    271°C

    Flash point

    • 125.9 ˚C est.

  • Synonyms

    • Isotridecanol
    • 11-Methyldodecanol
    • ISOTRIDECYL ALCOHOL
    • 11-methyldodecan-1-ol
    • Isotridecan-1-ol
    • 85763-57-1
    • 27458-92-0
    • Iso-Tridecyl-alcohol
    • 11-Methyl-1-dodecanol
    • Isotridecanol-
    • UNII-VX3T72M5SG
    • EINECS 248-469-2
    • VX3T72M5SG
    • EINECS 288-581-9
    • DTXSID7058676
    • CHEBI:77438
    • EC 248-469-2
    • 11-Methyl-1-dodecanol;
    • 1-Dodecanol, 11-methyl-
    • FIXATEUR ITC
    • EINECS 271-235-6
    • EC 271-235-6
    • SCHEMBL22209
    • DTXCID208687
    • DTXSID1029752
    • ISOTRIDECYL ALCOHOL [INCI]
    • AKOS028108421
    • FM25817
    • DB-255063
    • DB-255064
    • DB-259336
    • NS00006896
    • F70509
    • Q27146966
    • 288-581-9

  • Applications

    Isotridecanol, CAS 85763-57-1, is a branched C13 primary alcohol commonly used as a starting material for surfactants and other additives in multiple industries. Real-world applications include: (1) as a feedstock to produce nonionic and anionic surfactants (such as isotridecyl ethoxylates and sulfates) used in detergents and cleaning products; (2) as an emulsifier and base for cosmetics and personal care formulations; (3) as an intermediate for polymers and plastics processing, where it can act as a plasticizer or processing aid; (4) as a component or additive in coatings and inks to improve wetting and dispersion; (5) may serve as a solvent or processing aid in certain industrial formulations with hydrocarbon-based systems. Application specifics depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4574.83
    methanol 2003.3
    isopropanol 6722.85
    water 0.01
    ethyl acetate 4429.0
    n-propanol 5146.18
    acetone 5651.46
    n-butanol 5549.61
    acetonitrile 1682.98
    DMF 1968.72
    toluene 1139.27
    isobutanol 4305.37
    1,4-dioxane 4395.58
    methyl acetate 2124.43
    THF 10847.17
    2-butanone 4817.41
    n-pentanol 3421.03
    sec-butanol 5361.97
    n-hexane 3808.82
    ethylene glycol 104.1
    NMP 1263.22
    cyclohexane 4145.39
    DMSO 3397.47
    n-butyl acetate 5589.6
    n-octanol 1220.84
    chloroform 4193.62
    n-propyl acetate 3950.1
    acetic acid 1007.13
    dichloromethane 3993.81
    cyclohexanone 5914.95
    propylene glycol 452.85
    isopropyl acetate 3385.56
    DMAc 1231.92
    2-ethoxyethanol 2512.92
    isopentanol 4952.94
    n-heptane 2803.51
    ethyl formate 1396.38
    1,2-dichloroethane 3581.68
    n-hexanol 4335.79
    2-methoxyethanol 3459.55
    isobutyl acetate 2234.89
    tetrachloromethane 1208.64
    n-pentyl acetate 2494.95
    transcutol 6689.45
    n-heptanol 1634.21
    ethylbenzene 750.51
    MIBK 3160.34
    2-propoxyethanol 3946.67
    tert-butanol 8201.45
    MTBE 8037.4
    2-butoxyethanol 2216.22
    propionic acid 1314.2
    o-xylene 669.15
    formic acid 83.13
    diethyl ether 8500.62
    m-xylene 825.71
    p-xylene 934.46
    chlorobenzene 1160.0
    dimethyl carbonate 272.64
    n-octane 602.53
    formamide 170.67
    cyclopentanone 4693.13
    2-pentanone 5723.04
    anisole 1094.29
    cyclopentyl methyl ether 5629.93
    gamma-butyrolactone 3095.53
    1-methoxy-2-propanol 3823.32
    pyridine 2590.25
    3-pentanone 2738.45
    furfural 1519.23
    n-dodecane 189.43
    diethylene glycol 1021.24
    diisopropyl ether 2889.45
    tert-amyl alcohol 5073.47
    acetylacetone 2577.79
    n-hexadecane 226.82
    acetophenone 879.28
    methyl propionate 1979.93
    isopentyl acetate 4582.53
    trichloroethylene 3680.07
    n-nonanol 1098.73
    cyclohexanol 4645.83
    benzyl alcohol 780.24
    2-ethylhexanol 3135.99
    isooctanol 1590.4
    dipropyl ether 8421.02
    1,2-dichlorobenzene 958.94
    ethyl lactate 724.93
    propylene carbonate 1699.09
    n-methylformamide 858.31
    2-pentanol 4875.54
    n-pentane 2325.54
    1-propoxy-2-propanol 4561.38
    1-methoxy-2-propyl acetate 2721.79
    2-(2-methoxypropoxy) propanol 1024.99
    mesitylene 627.24
    ε-caprolactone 3719.24
    p-cymene 727.32
    epichlorohydrin 4128.38
    1,1,1-trichloroethane 3491.03
    2-aminoethanol 601.73
    morpholine-4-carbaldehyde 1847.94
    sulfolane 2946.07
    2,2,4-trimethylpentane 618.79
    2-methyltetrahydrofuran 8163.03
    n-hexyl acetate 2513.42
    isooctane 625.25
    2-(2-butoxyethoxy)ethanol 1912.79
    sec-butyl acetate 2769.01
    tert-butyl acetate 3627.97
    decalin 802.39
    glycerin 378.79
    diglyme 3831.67
    acrylic acid 498.02
    isopropyl myristate 864.51
    n-butyric acid 4143.39
    acetyl acetate 1227.22
    di(2-ethylhexyl) phthalate 419.93
    ethyl propionate 2737.24
    nitromethane 1495.38
    1,2-diethoxyethane 5021.83
    benzonitrile 1051.2
    trioctyl phosphate 449.85
    1-bromopropane 4971.57
    gamma-valerolactone 4302.54
    n-decanol 748.09
    triethyl phosphate 832.53
    4-methyl-2-pentanol 2340.37
    propionitrile 2413.79
    vinylene carbonate 970.61
    1,1,2-trichlorotrifluoroethane 1857.84
    DMS 692.84
    cumene 541.65
    2-octanol 1171.5
    2-hexanone 4271.52
    octyl acetate 902.24
    limonene 1806.58
    1,2-dimethoxyethane 5557.11
    ethyl orthosilicate 1046.99
    tributyl phosphate 596.66
    diacetone alcohol 2795.38
    N,N-dimethylaniline 691.06
    acrylonitrile 1390.86
    aniline 1217.92
    1,3-propanediol 1552.42
    bromobenzene 1291.2
    dibromomethane 3718.22
    1,1,2,2-tetrachloroethane 3744.68
    2-methyl-cyclohexyl acetate 1742.85
    tetrabutyl urea 702.98
    diisobutyl methanol 1938.71
    2-phenylethanol 1051.59
    styrene 865.83
    dioctyl adipate 933.95
    dimethyl sulfate 388.88
    ethyl butyrate 4217.86
    methyl lactate 505.92
    butyl lactate 1321.98
    diethyl carbonate 1534.87
    propanediol butyl ether 1218.3
    triethyl orthoformate 2499.44
    p-tert-butyltoluene 741.03
    methyl 4-tert-butylbenzoate 831.17
    morpholine 6940.65
    tert-butylamine 6669.94
    n-dodecanol 547.06
    dimethoxymethane 2257.83
    ethylene carbonate 1236.45
    cyrene 639.86
    2-ethoxyethyl acetate 1967.17
    2-ethylhexyl acetate 3596.09
    1,2,4-trichlorobenzene 985.9
    4-methylpyridine 2556.59
    dibutyl ether 4420.2
    2,6-dimethyl-4-heptanol 1938.71
    DEF 3254.11
    dimethyl isosorbide 1632.99
    tetrachloroethylene 2387.05
    eugenol 647.39
    triacetin 1125.91
    span 80 1123.08
    1,4-butanediol 499.89
    1,1-dichloroethane 4614.03
    2-methyl-1-pentanol 2624.77
    methyl formate 463.14
    2-methyl-1-butanol 4006.36
    n-decane 483.27
    butyronitrile 4067.97
    3,7-dimethyl-1-octanol 1574.25
    1-chlorooctane 1360.98
    1-chlorotetradecane 384.55
    n-nonane 600.08
    undecane 284.24
    tert-butylcyclohexane 773.26
    cyclooctane 1021.33
    cyclopentanol 3806.78
    tetrahydropyran 11332.08
    tert-amyl methyl ether 4032.42
    2,5,8-trioxanonane 1679.66
    1-hexene 6368.58
    2-isopropoxyethanol 2094.37
    2,2,2-trifluoroethanol 178.46
    methyl butyrate 3723.71

    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