1-Undecanol

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  • Identifiers

    CAS number
    112-42-5

    Molecular formula
    C11H24O

    SMILES
    CCCCCCCCCCCO

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1374.0
    • Carbowax: 1836.0

  • Odor profile

    Floral 74.41%
    Waxy 73.55%
    Fatty 69.22%
    Oily 65.22%
    Rose 59.45%
    Citrus 59.33%
    Fruity 58.85%
    Orange 52.7%
    Fresh 50.82%
    Sweet 50.58%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 6.5 [mmHg]. [Hawley] Odor threshold from CHEMINFO

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.22 (weak base)

    Molecular weight
    172.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 60.6 °F (USCG, 1999)
    • 19 °C
    • 15.9 °C

    Boiling point

    • 473 °F at 760 mmHg (USCG, 1999)
    • 243 °C at 760 mm Hg
    • 146.00 °C. @ 30.00 mm Hg
    • 245 °C

    Flash point est.
    113.28 ˚C

    Flash point expt.

    • 200 °F (USCG, 1999)
    • 93.3 °C
    • Above 82 °C
    • 113 °C

    Solubility expt.

    • Soluble in ethanol; very soluble in ether
    • Soluble in 60% alcohol
    • Solubility in water: none
    • soluble in most fixed oils; insoluble in water
    • 1ml in 4 ml of 60% alcohol (in ethanol)

  • Synonyms

    • 1-UNDECANOL
    • Undecan-1-ol
    • 112-42-5
    • Undecyl alcohol
    • Undecanol
    • n-Undecanol
    • n-Undecyl alcohol
    • Hendecyl alcohol
    • 1-Hendecanol
    • Alcohol C-11
    • Tip-Nip
    • Hendecanoic alcohol
    • 1-Undecyl alcohol
    • Decyl carbinol
    • n-Undecan-1-ol
    • n-Hendecylenic alcohol
    • C11 alcohol
    • Neodol 1
    • Alcohol, undecyl
    • Undecanol-(1)
    • Alcohol C11
    • FEMA No. 3097
    • NSC 403667
    • HSDB 1089
    • EINECS 203-970-5
    • UNII-06MJ0P28T3
    • BRN 1698334
    • DTXSID0026915
    • CHEBI:87499
    • AI3-00330
    • NSC-403667
    • 1-UNDECANOL [HSDB]
    • UNDECYL ALCOHOL [FCC]
    • UNDECYL ALCOHOL [FHFI]
    • DTXCID706915
    • 30207-98-8
    • EC 203-970-5
    • 06MJ0P28T3
    • 4-01-00-01835 (Beilstein Handbook Reference)
    • CAS-112-42-5
    • UMQ
    • UNA
    • HENDECANOL
    • Decane, hydroxymethyl deriv.
    • nUndecanol
    • 1Hendecanol
    • nUndecan1ol
    • TipNip
    • nUndecyl alcohol
    • 1Undecyl alcohol
    • Neoflex 11
    • MFCD00004751
    • Pri-n-undecyl alcohol
    • 1-Undecanol, 99%
    • Dlcohol c-11 undecylic
    • FEMA NUMBER 3097
    • SCHEMBL20655
    • n-C11H23OH
    • Undecyl alcohol, 97%, FG
    • UNDECYL ALCOHOL [INCI]
    • CHEMBL444525
    • DTXSID7027962
    • HSDB 5175
    • ALCOHOL C-11 (UNDECYLIC)
    • AAA11242
    • EINECS 250-092-3
    • Tox21_201585
    • Tox21_300548
    • LMFA05000144
    • NSC403667
    • s9450
    • STL280304
    • AKOS009031434
    • CS-W004292
    • HY-W004292
    • NCGC00164024-01
    • NCGC00164024-02
    • NCGC00164024-03
    • NCGC00254401-01
    • NCGC00259134-01
    • 1-Undecanol, purum, >=98.0% (GC)
    • 143819-62-9
    • BP-31088
    • DA-59963
    • LS-14031
    • NS00006811
    • U0005
    • EN300-20041
    • Q161686
    • F8881-3903
    • Z104476546

  • Applications

    Undecyl alcohol (1-undecanol, CAS 112-42-5) is a straight-chain C11 fatty alcohol widely employed as an intermediate for flavor-fragrance esters, a non-ionic surfactant in premium shampoos and detergents, a softening antistatic agent for textile fibers, a lubricity and anticorrosion additive in metalworking oils, a gloss-enhancing solvent for paints and printing inks, a modifier for alkyd-urethane resins, a flotation collector for mineral ores, and a precursor for insect-pheromone synthesis; thanks to its low viscosity, low pour point, and ready biodegradability, undecyl alcohol enables final formulations to achieve greater safety, environmental friendliness, and performance than many comparable long-chain alcohols.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6265.46
    methanol 3499.99
    isopropanol 8582.97
    water 0.02
    ethyl acetate 5340.29
    n-propanol 6960.77
    acetone 7857.67
    n-butanol 7413.68
    acetonitrile 2550.99
    DMF 2906.73
    toluene 1375.39
    isobutanol 5367.18
    1,4-dioxane 5579.0
    methyl acetate 2655.57
    THF 12660.8
    2-butanone 5739.74
    n-pentanol 4188.27
    sec-butanol 6701.87
    n-hexane 5327.5
    ethylene glycol 198.98
    NMP 1851.73
    cyclohexane 5383.47
    DMSO 5706.52
    n-butyl acetate 6584.19
    n-octanol 1431.35
    chloroform 5672.29
    n-propyl acetate 4655.34
    acetic acid 1542.17
    dichloromethane 5837.83
    cyclohexanone 7516.0
    propylene glycol 660.31
    isopropyl acetate 3585.73
    DMAc 1468.78
    2-ethoxyethanol 2950.08
    isopentanol 5861.43
    n-heptane 3639.05
    ethyl formate 1877.59
    1,2-dichloroethane 5049.76
    n-hexanol 5086.99
    2-methoxyethanol 4457.72
    isobutyl acetate 2350.76
    tetrachloromethane 1596.76
    n-pentyl acetate 2827.74
    transcutol 7289.64
    n-heptanol 1874.35
    ethylbenzene 900.28
    MIBK 3283.39
    2-propoxyethanol 4417.78
    tert-butanol 9665.21
    MTBE 7900.85
    2-butoxyethanol 2487.15
    propionic acid 1960.87
    o-xylene 722.36
    formic acid 142.95
    diethyl ether 10323.93
    m-xylene 908.47
    p-xylene 1062.27
    chlorobenzene 1495.54
    dimethyl carbonate 351.37
    n-octane 758.7
    formamide 312.54
    cyclopentanone 6165.46
    2-pentanone 6962.09
    anisole 1268.73
    cyclopentyl methyl ether 6531.57
    gamma-butyrolactone 4203.69
    1-methoxy-2-propanol 4604.58
    pyridine 3785.88
    3-pentanone 3331.1
    furfural 2048.02
    n-dodecane 226.57
    diethylene glycol 1283.48
    diisopropyl ether 3022.16
    tert-amyl alcohol 5859.21
    acetylacetone 2875.84
    n-hexadecane 269.73
    acetophenone 1010.86
    methyl propionate 2539.37
    isopentyl acetate 4635.01
    trichloroethylene 5145.32
    n-nonanol 1266.46
    cyclohexanol 5780.4
    benzyl alcohol 952.63
    2-ethylhexanol 3547.15
    isooctanol 1690.61
    dipropyl ether 9946.43
    1,2-dichlorobenzene 1178.39
    ethyl lactate 844.31
    propylene carbonate 2085.4
    n-methylformamide 1437.7
    2-pentanol 6174.95
    n-pentane 3257.16
    1-propoxy-2-propanol 5048.56
    1-methoxy-2-propyl acetate 2706.17
    2-(2-methoxypropoxy) propanol 998.52
    mesitylene 648.47
    ε-caprolactone 4697.08
    p-cymene 789.12
    epichlorohydrin 5159.43
    1,1,1-trichloroethane 4572.3
    2-aminoethanol 944.32
    morpholine-4-carbaldehyde 2230.38
    sulfolane 4051.74
    2,2,4-trimethylpentane 663.66
    2-methyltetrahydrofuran 9683.4
    n-hexyl acetate 2748.26
    isooctane 659.51
    2-(2-butoxyethoxy)ethanol 1982.08
    sec-butyl acetate 2810.32
    tert-butyl acetate 3539.27
    decalin 935.51
    glycerin 572.6
    diglyme 4047.65
    acrylic acid 829.55
    isopropyl myristate 874.1
    n-butyric acid 5691.71
    acetyl acetate 1403.56
    di(2-ethylhexyl) phthalate 444.97
    ethyl propionate 3258.97
    nitromethane 2281.56
    1,2-diethoxyethane 5782.53
    benzonitrile 1374.74
    trioctyl phosphate 472.82
    1-bromopropane 6707.04
    gamma-valerolactone 5383.9
    n-decanol 826.54
    triethyl phosphate 876.13
    4-methyl-2-pentanol 2613.61
    propionitrile 3715.18
    vinylene carbonate 1248.06
    1,1,2-trichlorotrifluoroethane 2356.61
    DMS 765.11
    cumene 588.34
    2-octanol 1337.56
    2-hexanone 4938.58
    octyl acetate 951.07
    limonene 1957.92
    1,2-dimethoxyethane 6514.12
    ethyl orthosilicate 1073.58
    tributyl phosphate 646.47
    diacetone alcohol 2884.87
    N,N-dimethylaniline 765.8
    acrylonitrile 2347.97
    aniline 1531.97
    1,3-propanediol 2164.0
    bromobenzene 1648.61
    dibromomethane 5542.6
    1,1,2,2-tetrachloroethane 4959.7
    2-methyl-cyclohexyl acetate 1761.64
    tetrabutyl urea 774.22
    diisobutyl methanol 2062.14
    2-phenylethanol 1185.62
    styrene 1142.93
    dioctyl adipate 993.91
    dimethyl sulfate 515.08
    ethyl butyrate 4719.2
    methyl lactate 652.34
    butyl lactate 1500.91
    diethyl carbonate 1649.97
    propanediol butyl ether 1344.34
    triethyl orthoformate 2577.49
    p-tert-butyltoluene 767.4
    methyl 4-tert-butylbenzoate 824.3
    morpholine 8728.23
    tert-butylamine 8003.46
    n-dodecanol 601.48
    dimethoxymethane 2993.98
    ethylene carbonate 1557.73
    cyrene 679.2
    2-ethoxyethyl acetate 2121.8
    2-ethylhexyl acetate 3622.92
    1,2,4-trichlorobenzene 1169.79
    4-methylpyridine 3319.58
    dibutyl ether 5317.4
    2,6-dimethyl-4-heptanol 2062.14
    DEF 4277.62
    dimethyl isosorbide 1632.15
    tetrachloroethylene 3468.57
    eugenol 700.99
    triacetin 1153.64
    span 80 1235.81
    1,4-butanediol 681.56
    1,1-dichloroethane 6178.69
    2-methyl-1-pentanol 2991.55
    methyl formate 754.05
    2-methyl-1-butanol 4803.82
    n-decane 601.69
    butyronitrile 5611.9
    3,7-dimethyl-1-octanol 1714.92
    1-chlorooctane 1558.97
    1-chlorotetradecane 430.82
    n-nonane 755.75
    undecane 344.13
    tert-butylcyclohexane 859.06
    cyclooctane 1268.19
    cyclopentanol 5356.58
    tetrahydropyran 14338.7
    tert-amyl methyl ether 4317.32
    2,5,8-trioxanonane 1736.65
    1-hexene 8681.92
    2-isopropoxyethanol 2344.27
    2,2,2-trifluoroethanol 266.76
    methyl butyrate 4591.67

    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
Tangerine (Brazil) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (Mexico) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (USA-California) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (USA-Florida) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.07%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.03%
Polygonum minus (Kesom) Polygonum minus Huds., fam. Polygonaceae 0.88%
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.2%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Jasmine rose flower headspace (China) 2 Gardenia jasminoides Ellis var. fortuniana Lindl., fam. Rubiaceae 0.11%
Machilus bombycina Machilus bombicyna King, fam. Lauraceae 5.3%
Polygonum odoratum Polygonum odoratum L., fam. Polygonaceae 0.2%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.07%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.26%
Persicaria odorata Persicarica odorata (Lour.) Sojak (Polygonum odoratum (Lour.) Polygonaceae 0.3%
Turmeric (India) 5b leaf 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.2%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.5%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 2.4%
Ferula arrigonii Ferula arrigonii Bocchieri, fam. Apiaceae (Umbelliferae) 0.1%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Philodendron acutatum root Philodendron acutatum Schott, fam. Araceae 3.4%