Undecan-3-ol

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  • Identifiers

    CAS number
    6929-08-4

    Molecular formula
    C11H24O

    SMILES
    CCCCCCCCC(CC)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Oily 69.2%
    Fatty 64.28%
    Floral 64.23%
    Waxy 62.45%
    Fruity 54.73%
    Citrus 52.42%
    Orange 45.43%
    Rose 44.36%
    Fresh 42.97%
    Earthy 40.01%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    172.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    229°C

    Flash point est.
    98.53 ˚C

  • Synonyms

    • 3-Undecanol
    • Undecan-3-ol
    • 6929-08-4
    • Undecanol-3
    • MFCD00046730
    • EINECS 230-054-2
    • NSC 158504
    • AI3-35681
    • 3-hendecanol
    • 3-hydroxyundecane
    • undecan-9-ol
    • NSC158504
    • SCHEMBL378964
    • CHEBI:195609
    • LMFA05000515
    • AKOS009159338
    • NSC-158504
    • BS-52902
    • SY053852
    • DB-241250
    • CS-0197373
    • NS00043282
    • U0028
    • D92752
    • 230-054-2

  • Applications

    Undecan-3-ol (CAS 6929-08-4) is a straight-chain C11 secondary alcohol used as a versatile intermediate to form esters, carbonates and ethers or to be oxidized to the corresponding ketone (e.g., 3-undecanone), thereby enabling the preparation of fragrance/flavor ingredients (including undecan-3-yl esters) and various industrial additives; it also serves as a precursor to secondary-alcohol-based surfactants (sulfates, ethers), as a co-surfactant/emulsifier and high-boiling co-solvent in coatings, inks and emulsions; as a feedstock for low-volatility lubricant and plasticizer esters; and as an analytical reference and model substrate in asymmetric catalysis studies, GC/MS retention indexing and surface modification when a C11 hydrophobe with a reactive OH handle is desired.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17614.29
    methanol 9978.92
    isopropanol 23456.18
    water 0.04
    ethyl acetate 15588.65
    n-propanol 17888.58
    acetone 21349.19
    n-butanol 18302.72
    acetonitrile 8536.14
    DMF 7437.8
    toluene 3323.53
    isobutanol 14369.45
    1,4-dioxane 13730.95
    methyl acetate 7988.33
    THF 24793.42
    2-butanone 15357.36
    n-pentanol 11145.7
    sec-butanol 17470.22
    n-hexane 13609.58
    ethylene glycol 434.43
    NMP 3510.05
    cyclohexane 9888.77
    DMSO 9734.78
    n-butyl acetate 19082.32
    n-octanol 3957.56
    chloroform 12660.79
    n-propyl acetate 12052.12
    acetic acid 3697.77
    dichloromethane 11796.6
    cyclohexanone 16097.52
    propylene glycol 1414.82
    isopropyl acetate 10428.66
    DMAc 3851.96
    2-ethoxyethanol 7018.03
    isopentanol 15363.73
    n-heptane 7594.8
    ethyl formate 5358.98
    1,2-dichloroethane 10103.86
    n-hexanol 14393.31
    2-methoxyethanol 10474.64
    isobutyl acetate 6199.61
    tetrachloromethane 3274.85
    n-pentyl acetate 7192.35
    transcutol 17367.68
    n-heptanol 4905.89
    ethylbenzene 2186.68
    MIBK 8093.51
    2-propoxyethanol 11540.5
    tert-butanol 26417.36
    MTBE 25999.93
    2-butoxyethanol 5840.91
    propionic acid 4777.7
    o-xylene 1668.67
    formic acid 375.36
    diethyl ether 28206.55
    m-xylene 2041.76
    p-xylene 2663.61
    chlorobenzene 3292.39
    dimethyl carbonate 867.72
    n-octane 1749.73
    formamide 732.11
    cyclopentanone 11906.06
    2-pentanone 16876.0
    anisole 3151.53
    cyclopentyl methyl ether 12939.97
    gamma-butyrolactone 8114.8
    1-methoxy-2-propanol 10104.42
    pyridine 9168.63
    3-pentanone 7963.1
    furfural 4055.39
    n-dodecane 589.88
    diethylene glycol 2954.14
    diisopropyl ether 8460.72
    tert-amyl alcohol 16690.27
    acetylacetone 7089.16
    n-hexadecane 698.58
    acetophenone 2295.06
    methyl propionate 6346.96
    isopentyl acetate 13322.99
    trichloroethylene 10791.26
    n-nonanol 3327.6
    cyclohexanol 12252.71
    benzyl alcohol 2211.93
    2-ethylhexanol 9864.01
    isooctanol 4238.35
    dipropyl ether 23363.86
    1,2-dichlorobenzene 2383.3
    ethyl lactate 1852.04
    propylene carbonate 4220.38
    n-methylformamide 3429.7
    2-pentanol 14975.09
    n-pentane 7039.43
    1-propoxy-2-propanol 12333.25
    1-methoxy-2-propyl acetate 6888.51
    2-(2-methoxypropoxy) propanol 2253.37
    mesitylene 1457.64
    ε-caprolactone 10437.53
    p-cymene 1835.86
    epichlorohydrin 10401.44
    1,1,1-trichloroethane 9655.03
    2-aminoethanol 2095.45
    morpholine-4-carbaldehyde 4863.61
    sulfolane 6480.07
    2,2,4-trimethylpentane 1618.68
    2-methyltetrahydrofuran 21689.98
    n-hexyl acetate 7256.24
    isooctane 1672.77
    2-(2-butoxyethoxy)ethanol 4433.8
    sec-butyl acetate 7563.18
    tert-butyl acetate 9301.46
    decalin 2074.29
    glycerin 1153.23
    diglyme 8923.22
    acrylic acid 1950.63
    isopropyl myristate 2081.8
    n-butyric acid 13678.61
    acetyl acetate 3759.42
    di(2-ethylhexyl) phthalate 970.06
    ethyl propionate 7905.31
    nitromethane 5668.95
    1,2-diethoxyethane 15522.23
    benzonitrile 3463.83
    trioctyl phosphate 1043.74
    1-bromopropane 14214.74
    gamma-valerolactone 11649.77
    n-decanol 2189.13
    triethyl phosphate 1755.87
    4-methyl-2-pentanol 6524.3
    propionitrile 9987.96
    vinylene carbonate 2760.65
    1,1,2-trichlorotrifluoroethane 4517.72
    DMS 1912.36
    cumene 1356.24
    2-octanol 3516.52
    2-hexanone 12927.54
    octyl acetate 2290.23
    limonene 4477.72
    1,2-dimethoxyethane 17453.22
    ethyl orthosilicate 2218.02
    tributyl phosphate 1450.64
    diacetone alcohol 6631.95
    N,N-dimethylaniline 1796.52
    acrylonitrile 6182.52
    aniline 3795.48
    1,3-propanediol 5126.34
    bromobenzene 3604.61
    dibromomethane 11315.05
    1,1,2,2-tetrachloroethane 9820.74
    2-methyl-cyclohexyl acetate 3826.49
    tetrabutyl urea 1694.2
    diisobutyl methanol 4808.7
    2-phenylethanol 2951.66
    styrene 2915.25
    dioctyl adipate 2092.39
    dimethyl sulfate 998.06
    ethyl butyrate 11567.69
    methyl lactate 1414.74
    butyl lactate 3449.02
    diethyl carbonate 4112.13
    propanediol butyl ether 3268.59
    triethyl orthoformate 5855.53
    p-tert-butyltoluene 1770.0
    methyl 4-tert-butylbenzoate 1665.31
    morpholine 20057.27
    tert-butylamine 22539.83
    n-dodecanol 1575.63
    dimethoxymethane 6874.2
    ethylene carbonate 3628.68
    cyrene 1273.36
    2-ethoxyethyl acetate 5267.83
    2-ethylhexyl acetate 10009.62
    1,2,4-trichlorobenzene 2360.98
    4-methylpyridine 9239.88
    dibutyl ether 13750.91
    2,6-dimethyl-4-heptanol 4808.7
    DEF 10492.14
    dimethyl isosorbide 3176.25
    tetrachloroethylene 6750.28
    eugenol 1444.22
    triacetin 2572.46
    span 80 2666.72
    1,4-butanediol 1577.23
    1,1-dichloroethane 14183.83
    2-methyl-1-pentanol 8123.71
    methyl formate 1882.11
    2-methyl-1-butanol 12314.31
    n-decane 1473.01
    butyronitrile 16393.93
    3,7-dimethyl-1-octanol 4537.41
    1-chlorooctane 3713.41
    1-chlorotetradecane 1026.93
    n-nonane 1839.06
    undecane 865.96
    tert-butylcyclohexane 2159.13
    cyclooctane 2464.13
    cyclopentanol 9924.48
    tetrahydropyran 32220.83
    tert-amyl methyl ether 11946.65
    2,5,8-trioxanonane 3642.63
    1-hexene 23613.5
    2-isopropoxyethanol 5658.29
    2,2,2-trifluoroethanol 571.53
    methyl butyrate 11731.65

    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

Botanical

Name CAS Botanical Proportion
Fissitigma shangtzeense, flower extract Fissitigma shangtzeense Tsiang et P.T. Li, fam. Annonaceae 0.51%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.94%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%