Isoundecanol

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  • Identifiers

    CAS number
    51750-47-1

    Molecular formula
    C11H24O

    SMILES
    CC(C)CCCCCCCCO

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 70.91%
    Waxy 65.58%
    Oily 57.91%
    Rose 57.79%
    Citrus 53.08%
    Sweet 52.52%
    Fresh 51.87%
    Fatty 51.74%
    Woody 44.73%
    Clean 43.95%

     

    Flavor
    Waxy 63.72%
    Floral 59.64%
    Fresh 49.48%
    Citrus 48.4%
    Rose 42.6%
    Green 40.46%
    Soapy 39.86%
    Fatty 39.6%
    Clean 38.53%
    Aldehydic 38.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.41 (weak base)

    Molecular weight
    172.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    240°C

    Flash point

    • 106.74 ˚C est.

  • Synonyms

    • isoundecanol
    • Isoundecan-1-ol
    • 51750-47-1
    • 7E1FH29YUL
    • EINECS 257-376-6
    • EXXAL 11
    • RefChem:792437
    • DTXSID801054484
    • 257-376-6
    • 9-Methyldecan-1-ol
    • 55505-28-7
    • 9-Methyldecanol
    • 1-Decanol, 9-methyl-
    • 9-Methyl-1-decanol
    • EINECS 259-679-9
    • UNII-7E1FH29YUL
    • MFCD02258680
    • 9-methyl decan-1-ol
    • SCHEMBL474229
    • SCHEMBL3100968
    • SCHEMBL17956894
    • CHEBI:87138
    • DTXSID00204086
    • JM077
    • AKOS006279956
    • AS-56956
    • DB-319720
    • DB-360102
    • CS-0361174
    • NS00033329
    • D93483
    • Q27159395
    • 55505-28-7

  • Applications

    Isoundecanol (CAS 51750-47-1) is a C11-branched alcohol used primarily as a fragrance ingredient and fixative in perfumery, and as a light solvent or carrier in cosmetic formulations. In cosmetics and personal care, it commonly acts as an emollient and solvent for active ingredients. In household and cleaning products, it may serve as a solvent or fragrance carrier to aid dissolution and fragrance distribution. In industrial manufacturing, it is used as an intermediate for ester synthesis and as a processing aid in formulation. In the polymers/plastics field, it can function as a plasticizer or co-solvent in certain polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12767.64
    methanol 7050.36
    isopropanol 17146.71
    water 0.05
    ethyl acetate 7615.3
    n-propanol 12779.0
    acetone 12207.05
    n-butanol 12770.48
    acetonitrile 4453.39
    DMF 4166.58
    toluene 1575.52
    isobutanol 9775.83
    1,4-dioxane 7605.86
    methyl acetate 3989.61
    THF 16280.98
    2-butanone 8636.26
    n-pentanol 7348.2
    sec-butanol 11233.5
    n-hexane 5740.55
    ethylene glycol 427.86
    NMP 1848.52
    cyclohexane 4774.35
    DMSO 6592.05
    n-butyl acetate 8545.75
    n-octanol 2075.21
    chloroform 6351.33
    n-propyl acetate 5827.4
    acetic acid 2770.73
    dichloromethane 5592.39
    cyclohexanone 8834.98
    propylene glycol 1394.33
    isopropyl acetate 5059.72
    DMAc 1895.11
    2-ethoxyethanol 4887.73
    isopentanol 10027.79
    n-heptane 3599.12
    ethyl formate 2789.85
    1,2-dichloroethane 5073.49
    n-hexanol 8987.36
    2-methoxyethanol 7728.24
    isobutyl acetate 3113.46
    tetrachloromethane 1681.36
    n-pentyl acetate 3204.15
    transcutol 10248.4
    n-heptanol 2831.58
    ethylbenzene 965.75
    MIBK 4713.33
    2-propoxyethanol 7799.46
    tert-butanol 18127.58
    MTBE 13171.12
    2-butoxyethanol 3676.85
    propionic acid 3081.58
    o-xylene 830.33
    formic acid 296.76
    diethyl ether 14341.56
    m-xylene 1131.4
    p-xylene 1198.38
    chlorobenzene 1543.94
    dimethyl carbonate 430.42
    n-octane 757.3
    formamide 527.38
    cyclopentanone 7200.4
    2-pentanone 9673.91
    anisole 1507.32
    cyclopentyl methyl ether 8087.96
    gamma-butyrolactone 4912.93
    1-methoxy-2-propanol 7397.25
    pyridine 4223.55
    3-pentanone 4208.54
    furfural 2351.53
    n-dodecane 249.51
    diethylene glycol 2264.37
    diisopropyl ether 4303.94
    tert-amyl alcohol 9260.6
    acetylacetone 3913.27
    n-hexadecane 293.7
    acetophenone 1091.07
    methyl propionate 3395.72
    isopentyl acetate 6376.59
    trichloroethylene 5469.03
    n-nonanol 1686.64
    cyclohexanol 8091.73
    benzyl alcohol 1210.86
    2-ethylhexanol 5250.15
    isooctanol 2377.28
    dipropyl ether 12125.81
    1,2-dichlorobenzene 1146.57
    ethyl lactate 1064.13
    propylene carbonate 2483.96
    n-methylformamide 2192.36
    2-pentanol 9875.19
    n-pentane 3721.64
    1-propoxy-2-propanol 7974.84
    1-methoxy-2-propyl acetate 3896.62
    2-(2-methoxypropoxy) propanol 1355.64
    mesitylene 795.25
    ε-caprolactone 5474.71
    p-cymene 899.17
    epichlorohydrin 6249.71
    1,1,1-trichloroethane 4789.18
    2-aminoethanol 1997.88
    morpholine-4-carbaldehyde 2927.52
    sulfolane 4080.89
    2,2,4-trimethylpentane 845.66
    2-methyltetrahydrofuran 12306.65
    n-hexyl acetate 3399.98
    isooctane 911.52
    2-(2-butoxyethoxy)ethanol 2758.34
    sec-butyl acetate 3593.12
    tert-butyl acetate 4929.37
    decalin 955.45
    glycerin 1022.85
    diglyme 5482.27
    acrylic acid 1258.84
    isopropyl myristate 1033.89
    n-butyric acid 8642.75
    acetyl acetate 1837.46
    di(2-ethylhexyl) phthalate 520.45
    ethyl propionate 3758.06
    nitromethane 3384.46
    1,2-diethoxyethane 7127.22
    benzonitrile 1582.57
    trioctyl phosphate 571.49
    1-bromopropane 6974.58
    gamma-valerolactone 6939.43
    n-decanol 1135.13
    triethyl phosphate 938.67
    4-methyl-2-pentanol 4152.14
    propionitrile 5206.96
    vinylene carbonate 1516.79
    1,1,2-trichlorotrifluoroethane 2874.42
    DMS 908.67
    cumene 647.85
    2-octanol 1826.04
    2-hexanone 6763.22
    octyl acetate 1141.91
    limonene 2287.46
    1,2-dimethoxyethane 9466.92
    ethyl orthosilicate 1184.89
    tributyl phosphate 748.76
    diacetone alcohol 4217.06
    N,N-dimethylaniline 834.26
    acrylonitrile 3128.62
    aniline 1960.71
    1,3-propanediol 4223.44
    bromobenzene 1613.82
    dibromomethane 5361.16
    1,1,2,2-tetrachloroethane 5076.7
    2-methyl-cyclohexyl acetate 2127.57
    tetrabutyl urea 857.04
    diisobutyl methanol 2774.64
    2-phenylethanol 1608.44
    styrene 1202.71
    dioctyl adipate 1100.51
    dimethyl sulfate 533.52
    ethyl butyrate 5587.57
    methyl lactate 919.35
    butyl lactate 1794.96
    diethyl carbonate 1919.15
    propanediol butyl ether 2047.54
    triethyl orthoformate 3021.59
    p-tert-butyltoluene 912.09
    methyl 4-tert-butylbenzoate 937.87
    morpholine 11755.86
    tert-butylamine 13500.78
    n-dodecanol 812.58
    dimethoxymethane 4029.36
    ethylene carbonate 1879.83
    cyrene 816.83
    2-ethoxyethyl acetate 2548.79
    2-ethylhexyl acetate 4651.49
    1,2,4-trichlorobenzene 1158.17
    4-methylpyridine 4059.3
    dibutyl ether 6096.62
    2,6-dimethyl-4-heptanol 2774.64
    DEF 5082.77
    dimethyl isosorbide 1964.43
    tetrachloroethylene 3448.2
    eugenol 814.89
    triacetin 1365.71
    span 80 1591.5
    1,4-butanediol 1295.3
    1,1-dichloroethane 7186.34
    2-methyl-1-pentanol 4783.62
    methyl formate 1128.41
    2-methyl-1-butanol 7914.32
    n-decane 623.16
    butyronitrile 8514.71
    3,7-dimethyl-1-octanol 2289.65
    1-chlorooctane 1745.97
    1-chlorotetradecane 483.56
    n-nonane 772.46
    undecane 370.42
    tert-butylcyclohexane 1008.4
    cyclooctane 1191.52
    cyclopentanol 6857.96
    tetrahydropyran 17667.91
    tert-amyl methyl ether 6201.42
    2,5,8-trioxanonane 2263.1
    1-hexene 10658.6
    2-isopropoxyethanol 3612.02
    2,2,2-trifluoroethanol 406.89
    methyl butyrate 5477.85

    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