(3R)-3-Methylundecan-1-ol

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  • Identifiers

    CAS number
    84567-94-2

    Molecular formula
    C12H26O

    SMILES
    CCCCCCCC[C@@H](C)CCO

    Safety labels

  • Odor profile

    Fragrance
    Floral 76.54%
    Waxy 70.82%
    Fruity 65.81%
    Citrus 65.2%
    Fatty 62.5%
    Rose 60.75%
    Oily 57.48%
    Fresh 57.34%
    Orange 49.67%
    Sweet 47.35%

     

    Flavor
    Waxy 67.36%
    Floral 51.08%
    Fresh 47.56%
    Citrus 43.31%
    Fatty 42.37%
    Soapy 40.89%
    Fat 39.24%
    Clean 37.12%
    Rose 36.86%
    Oily 35.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.21 (weak base)

    Molecular weight
    186.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    252°C

    Flash point

    • 114.22 ˚C est.

  • Synonyms

    • (3R)-3-METHYLUNDECAN-1-OL
    • 84567-94-2
    • DTXSID20550855
    • RefChem:208103
    • DTXCID10501639
    • CTVPPKBJEDDIHQ-GFCCVEGCSA-N
    • 84567-94-2

  • Applications

    (3R)-3-Methylundecan-1-ol is commonly used in perfumery as a fragrance ingredient and fixative, helping to stabilize and extend scent profiles in consumer formulations. In cosmetics and personal care, it may serve as a fragrance component and as a solvent or carrier in creams, lotions, and related products. It can act as an intermediate for the synthesis of ester aroma compounds, supporting flavor and fragrance applications through subsequent esterification. In household products, it is used as a fragrance ingredient and solvent in cleaners, detergents, and air fresheners. In industrial manufacturing, it can function as a chemical intermediate for the preparation of specialty esters or as a processing aid in formulations requiring long-chain aliphatic alcohols, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21954.55
    methanol 11036.69
    isopropanol 28979.07
    water 0.03
    ethyl acetate 13207.88
    n-propanol 21570.29
    acetone 21681.41
    n-butanol 19850.9
    acetonitrile 7577.03
    DMF 6562.24
    toluene 2484.29
    isobutanol 16530.87
    1,4-dioxane 13475.01
    methyl acetate 6644.43
    THF 27982.17
    2-butanone 14459.69
    n-pentanol 10887.24
    sec-butanol 17973.23
    n-hexane 7906.88
    ethylene glycol 500.47
    NMP 2782.7
    cyclohexane 8432.09
    DMSO 10830.81
    n-butyl acetate 12570.18
    n-octanol 2649.58
    chloroform 9761.74
    n-propyl acetate 9356.82
    acetic acid 3815.48
    dichloromethane 9826.04
    cyclohexanone 15186.96
    propylene glycol 1752.42
    isopropyl acetate 8261.61
    DMAc 2925.93
    2-ethoxyethanol 7217.59
    isopentanol 15298.57
    n-heptane 4525.53
    ethyl formate 4451.68
    1,2-dichloroethane 8970.08
    n-hexanol 12374.48
    2-methoxyethanol 11955.28
    isobutyl acetate 4651.94
    tetrachloromethane 2602.18
    n-pentyl acetate 4701.18
    transcutol 14103.08
    n-heptanol 3640.59
    ethylbenzene 1368.45
    MIBK 7471.31
    2-propoxyethanol 10649.59
    tert-butanol 28819.72
    MTBE 22415.23
    2-butoxyethanol 4639.17
    propionic acid 4437.31
    o-xylene 1179.45
    formic acid 377.96
    diethyl ether 26631.67
    m-xylene 1610.98
    p-xylene 1616.21
    chlorobenzene 2461.36
    dimethyl carbonate 648.98
    n-octane 942.12
    formamide 788.18
    cyclopentanone 11746.61
    2-pentanone 15645.22
    anisole 2122.43
    cyclopentyl methyl ether 12938.31
    gamma-butyrolactone 7651.24
    1-methoxy-2-propanol 11132.4
    pyridine 7237.46
    3-pentanone 7154.32
    furfural 3341.86
    n-dodecane 290.11
    diethylene glycol 2865.71
    diisopropyl ether 7046.5
    tert-amyl alcohol 14390.85
    acetylacetone 6059.61
    n-hexadecane 346.82
    acetophenone 1472.7
    methyl propionate 5455.28
    isopentyl acetate 8994.76
    trichloroethylene 8799.0
    n-nonanol 2150.44
    cyclohexanol 13267.01
    benzyl alcohol 1659.13
    2-ethylhexanol 6905.65
    isooctanol 3044.81
    dipropyl ether 17426.28
    1,2-dichlorobenzene 1694.24
    ethyl lactate 1376.5
    propylene carbonate 3549.22
    n-methylformamide 3547.47
    2-pentanol 15285.41
    n-pentane 5421.84
    1-propoxy-2-propanol 10651.62
    1-methoxy-2-propyl acetate 5456.29
    2-(2-methoxypropoxy) propanol 1672.27
    mesitylene 1114.97
    ε-caprolactone 9016.91
    p-cymene 1146.97
    epichlorohydrin 10263.31
    1,1,1-trichloroethane 7827.83
    2-aminoethanol 2773.11
    morpholine-4-carbaldehyde 4275.53
    sulfolane 6041.69
    2,2,4-trimethylpentane 1135.27
    2-methyltetrahydrofuran 22347.85
    n-hexyl acetate 4708.48
    isooctane 1239.31
    2-(2-butoxyethoxy)ethanol 3556.76
    sec-butyl acetate 5646.97
    tert-butyl acetate 7509.98
    decalin 1317.6
    glycerin 1195.79
    diglyme 7400.46
    acrylic acid 1638.65
    isopropyl myristate 1380.73
    n-butyric acid 13164.47
    acetyl acetate 2846.64
    di(2-ethylhexyl) phthalate 642.43
    ethyl propionate 5916.6
    nitromethane 5544.14
    1,2-diethoxyethane 11484.26
    benzonitrile 2345.88
    trioctyl phosphate 690.26
    1-bromopropane 12270.04
    gamma-valerolactone 11150.87
    n-decanol 1416.26
    triethyl phosphate 1179.66
    4-methyl-2-pentanol 6000.3
    propionitrile 8709.81
    vinylene carbonate 2196.58
    1,1,2-trichlorotrifluoroethane 3935.93
    DMS 1242.75
    cumene 829.35
    2-octanol 2364.39
    2-hexanone 10389.5
    octyl acetate 1506.18
    limonene 3063.18
    1,2-dimethoxyethane 14560.18
    ethyl orthosilicate 1495.07
    tributyl phosphate 930.59
    diacetone alcohol 6048.89
    N,N-dimethylaniline 1120.13
    acrylonitrile 5088.48
    aniline 3105.59
    1,3-propanediol 6298.36
    bromobenzene 2512.49
    dibromomethane 9101.6
    1,1,2,2-tetrachloroethane 7975.8
    2-methyl-cyclohexyl acetate 2685.46
    tetrabutyl urea 1066.88
    diisobutyl methanol 3582.59
    2-phenylethanol 2128.61
    styrene 1731.46
    dioctyl adipate 1376.67
    dimethyl sulfate 771.47
    ethyl butyrate 8108.25
    methyl lactate 1233.14
    butyl lactate 2337.87
    diethyl carbonate 2607.68
    propanediol butyl ether 2458.6
    triethyl orthoformate 3957.7
    p-tert-butyltoluene 1132.21
    methyl 4-tert-butylbenzoate 1157.16
    morpholine 21183.85
    tert-butylamine 22099.57
    n-dodecanol 1016.41
    dimethoxymethane 6787.01
    ethylene carbonate 2941.2
    cyrene 960.0
    2-ethoxyethyl acetate 3722.98
    2-ethylhexyl acetate 6410.7
    1,2,4-trichlorobenzene 1682.39
    4-methylpyridine 6913.16
    dibutyl ether 8968.01
    2,6-dimethyl-4-heptanol 3582.59
    DEF 8434.83
    dimethyl isosorbide 2475.08
    tetrachloroethylene 5318.95
    eugenol 984.31
    triacetin 1719.5
    span 80 1884.98
    1,4-butanediol 1727.62
    1,1-dichloroethane 12276.76
    2-methyl-1-pentanol 7122.69
    methyl formate 1700.01
    2-methyl-1-butanol 12379.1
    n-decane 763.57
    butyronitrile 13999.07
    3,7-dimethyl-1-octanol 2946.86
    1-chlorooctane 2321.99
    1-chlorotetradecane 598.27
    n-nonane 958.18
    undecane 443.31
    tert-butylcyclohexane 1293.3
    cyclooctane 1755.44
    cyclopentanol 11199.62
    tetrahydropyran 33238.1
    tert-amyl methyl ether 9589.43
    2,5,8-trioxanonane 2910.27
    1-hexene 15710.33
    2-isopropoxyethanol 5360.22
    2,2,2-trifluoroethanol 532.7
    methyl butyrate 8709.97

    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