(S)-2-Undecanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85617-05-6

    Molecular formula
    C11H24O

    SMILES
    CCCCCCCCC[C@H](C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 73.79%
    Fatty 70.77%
    Floral 70.56%
    Waxy 67.43%
    Citrus 64.5%
    Oily 64.28%
    Fresh 54.03%
    Orange 53.84%
    Rose 50.94%
    Clean 40.9%

     

    Flavor
    Waxy 68.24%
    Fresh 58.16%
    Floral 56.73%
    Citrus 52.48%
    Green 50.4%
    Fatty 47.72%
    Fat 44.05%
    Orange 43.91%
    Mushroom 41.69%
    Clean 40.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.71 (weak base)

    Molecular weight
    172.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point

    • 101.23 ˚C est.

  • Synonyms

    • (S)-2-Undecanol
    • (2S)-UNDECAN-2-OL
    • 85617-05-6
    • 2-Undecanol, (S)-
    • 2-Undecanol, (+)-
    • 2-Undecanol, (2S)-
    • UNII-1BKP98A66O
    • Undecan-2S-ol
    • 1BKP98A66O
    • FEMA No. 3246, (+)-
    • (+)-2-Undecanol
    • SCHEMBL4449373
    • DTXSID10234854
    • XMUJIPOFTAHSOK-NSHDSACASA-N
    • LMFA05000512
    • AKOS006272405
    • DB-310409
    • Q27252200
    • 85617-05-6

  • Applications

    (S)-2-Undecanol, CAS 85617-05-6, is a chiral secondary alcohol used as a synthetic intermediate and a building block for fragrance esters in perfumery; in cosmetics and personal care it serves as an odorant ingredient and a precursor for aroma esters; in industrial manufacturing it can function as a solvent or processing aid and as a precursor for ester synthesis and for nonionic surfactants (via ethoxylation) used in coatings, inks, and cleaning formulations; in pharmaceuticals it may be employed as a chiral intermediate for the synthesis of small-molecule drugs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12692.56
    methanol 8008.64
    isopropanol 16831.34
    water 0.05
    ethyl acetate 8554.58
    n-propanol 12933.67
    acetone 14219.97
    n-butanol 12703.55
    acetonitrile 4799.19
    DMF 4951.67
    toluene 2129.43
    isobutanol 10168.06
    1,4-dioxane 9407.2
    methyl acetate 4810.61
    THF 18344.48
    2-butanone 9580.07
    n-pentanol 8293.66
    sec-butanol 12211.84
    n-hexane 10926.97
    ethylene glycol 465.73
    NMP 2668.06
    cyclohexane 7438.55
    DMSO 7561.79
    n-butyl acetate 10038.1
    n-octanol 2803.88
    chloroform 7779.85
    n-propyl acetate 6708.6
    acetic acid 2706.29
    dichloromethane 6841.39
    cyclohexanone 10418.39
    propylene glycol 1488.19
    isopropyl acetate 5917.39
    DMAc 2614.54
    2-ethoxyethanol 5317.97
    isopentanol 10502.09
    n-heptane 6006.91
    ethyl formate 2963.48
    1,2-dichloroethane 5987.52
    n-hexanol 10664.21
    2-methoxyethanol 7827.97
    isobutyl acetate 3615.96
    tetrachloromethane 2127.43
    n-pentyl acetate 4088.45
    transcutol 11292.66
    n-heptanol 3474.51
    ethylbenzene 1362.63
    MIBK 5264.82
    2-propoxyethanol 8450.97
    tert-butanol 19198.91
    MTBE 15731.75
    2-butoxyethanol 4003.42
    propionic acid 3436.07
    o-xylene 1127.82
    formic acid 311.35
    diethyl ether 17247.8
    m-xylene 1393.83
    p-xylene 1702.78
    chlorobenzene 1960.35
    dimethyl carbonate 560.5
    n-octane 1269.87
    formamide 521.66
    cyclopentanone 8216.28
    2-pentanone 10441.64
    anisole 1914.26
    cyclopentyl methyl ether 9744.46
    gamma-butyrolactone 5567.5
    1-methoxy-2-propanol 7585.04
    pyridine 5334.63
    3-pentanone 5128.61
    furfural 2650.56
    n-dodecane 444.09
    diethylene glycol 2449.94
    diisopropyl ether 5522.68
    tert-amyl alcohol 11328.47
    acetylacetone 4477.36
    n-hexadecane 522.83
    acetophenone 1383.78
    methyl propionate 4065.72
    isopentyl acetate 7296.25
    trichloroethylene 6240.37
    n-nonanol 2323.02
    cyclohexanol 9268.7
    benzyl alcohol 1455.87
    2-ethylhexanol 6831.67
    isooctanol 2926.84
    dipropyl ether 15562.92
    1,2-dichlorobenzene 1435.64
    ethyl lactate 1288.49
    propylene carbonate 2838.78
    n-methylformamide 2311.73
    2-pentanol 10290.89
    n-pentane 5451.04
    1-propoxy-2-propanol 8565.33
    1-methoxy-2-propyl acetate 4276.14
    2-(2-methoxypropoxy) propanol 1642.05
    mesitylene 1010.51
    ε-caprolactone 6445.47
    p-cymene 1174.5
    epichlorohydrin 6542.89
    1,1,1-trichloroethane 5694.15
    2-aminoethanol 1915.75
    morpholine-4-carbaldehyde 3463.41
    sulfolane 4998.05
    2,2,4-trimethylpentane 1198.05
    2-methyltetrahydrofuran 15015.44
    n-hexyl acetate 4627.9
    isooctane 1183.19
    2-(2-butoxyethoxy)ethanol 3175.71
    sec-butyl acetate 4277.21
    tert-butyl acetate 5738.56
    decalin 1635.48
    glycerin 1125.11
    diglyme 6042.85
    acrylic acid 1448.18
    isopropyl myristate 1421.18
    n-butyric acid 8866.83
    acetyl acetate 2253.02
    di(2-ethylhexyl) phthalate 702.73
    ethyl propionate 4669.99
    nitromethane 3426.45
    1,2-diethoxyethane 8796.09
    benzonitrile 1914.87
    trioctyl phosphate 757.0
    1-bromopropane 8761.32
    gamma-valerolactone 7358.64
    n-decanol 1561.65
    triethyl phosphate 1186.92
    4-methyl-2-pentanol 4640.01
    propionitrile 5847.75
    vinylene carbonate 1765.34
    1,1,2-trichlorotrifluoroethane 3314.48
    DMS 1235.09
    cumene 903.86
    2-octanol 2434.9
    2-hexanone 7805.57
    octyl acetate 1537.28
    limonene 3103.59
    1,2-dimethoxyethane 11185.51
    ethyl orthosilicate 1481.43
    tributyl phosphate 1014.97
    diacetone alcohol 4495.2
    N,N-dimethylaniline 1144.75
    acrylonitrile 3527.58
    aniline 2510.31
    1,3-propanediol 4051.08
    bromobenzene 2118.11
    dibromomethane 6646.61
    1,1,2,2-tetrachloroethane 6048.21
    2-methyl-cyclohexyl acetate 2596.62
    tetrabutyl urea 1217.4
    diisobutyl methanol 3287.47
    2-phenylethanol 1900.61
    styrene 1741.89
    dioctyl adipate 1458.49
    dimethyl sulfate 705.16
    ethyl butyrate 6384.85
    methyl lactate 1092.78
    butyl lactate 2235.39
    diethyl carbonate 2303.88
    propanediol butyl ether 2464.98
    triethyl orthoformate 3673.38
    p-tert-butyltoluene 1189.23
    methyl 4-tert-butylbenzoate 1161.08
    morpholine 13794.79
    tert-butylamine 15031.11
    n-dodecanol 1147.2
    dimethoxymethane 4679.04
    ethylene carbonate 2286.9
    cyrene 1011.78
    2-ethoxyethyl acetate 3089.84
    2-ethylhexyl acetate 5774.23
    1,2,4-trichlorobenzene 1479.45
    4-methylpyridine 5074.95
    dibutyl ether 8687.04
    2,6-dimethyl-4-heptanol 3287.47
    DEF 6368.86
    dimethyl isosorbide 2349.28
    tetrachloroethylene 4227.54
    eugenol 1002.35
    triacetin 1785.9
    span 80 2041.37
    1,4-butanediol 1348.93
    1,1-dichloroethane 8403.12
    2-methyl-1-pentanol 5592.58
    methyl formate 1221.17
    2-methyl-1-butanol 8338.16
    n-decane 1067.16
    butyronitrile 9019.16
    3,7-dimethyl-1-octanol 3152.0
    1-chlorooctane 2570.25
    1-chlorotetradecane 742.29
    n-nonane 1352.48
    undecane 650.48
    tert-butylcyclohexane 1641.28
    cyclooctane 1914.83
    cyclopentanol 8011.07
    tetrahydropyran 21174.31
    tert-amyl methyl ether 7811.55
    2,5,8-trioxanonane 2635.12
    1-hexene 16626.22
    2-isopropoxyethanol 4154.33
    2,2,2-trifluoroethanol 432.15
    methyl butyrate 6588.17

    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