2-Heptadecanol

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  • Identifiers

    CAS number
    16813-18-6

    Molecular formula
    C17H36O

    SMILES
    CCCCCCCCCCCCCCCC(C)O

  • Odor profile

    Fragrance
    Waxy 66.99%
    Fatty 64.97%
    Oily 59.2%
    Fruity 54.63%
    Floral 37.21%
    Citrus 32.98%
    Fresh 32.86%
    Clean 30.38%
    Sweet 26.89%
    Dairy 25.62%

     

    Flavor
    Waxy 62.24%
    Fatty 39.48%
    Fat 34.53%
    Mild 34.43%
    Fresh 32.94%
    Soapy 30.91%
    Flower 29.46%
    Oily 28.99%
    Alkane 28.86%
    Wax 28.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    8.01 (weak base)

    Molecular weight
    256.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 150.39 ˚C est.

  • Synonyms

    • 2-Heptadecanol
    • heptadecan-2-ol
    • 16813-18-6
    • 2-Heptadecanol.
    • 57289-07-3
    • NSC87606
    • 2-hydroxyheptadecane
    • SCHEMBL380053
    • DTXSID10871268
    • CHEBI:197400
    • LMFA05000531
    • NSC-87606
    • F87172

  • Applications

    2-Heptadecanol (CAS 16813-18-6) is a long-chain fatty alcohol primarily used in cosmetics and personal care as an emollient and conditioning agent; it also serves as a versatile intermediate for the synthesis of fragrance and flavor esters, supporting applications as fragrance ingredients or fixatives; in industrial manufacturing it can act as a lubricant and processing aid and as a precursor for surfactants; in coatings and inks it may function as a slip agent or co-surfactant; in polymers and plastics it is used as a plasticizer or processing aid to modify flow and film properties; and in cleaning formulations it can contribute as a surfactant or solvent component within formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 299.73
    methanol 147.15
    isopropanol 524.93
    water 0.01
    ethyl acetate 1064.31
    n-propanol 441.75
    acetone 664.4
    n-butanol 645.4
    acetonitrile 173.37
    DMF 500.82
    toluene 374.42
    isobutanol 490.37
    1,4-dioxane 1070.8
    methyl acetate 475.11
    THF 3019.43
    2-butanone 869.9
    n-pentanol 428.17
    sec-butanol 615.05
    n-hexane 715.11
    ethylene glycol 9.53
    NMP 916.46
    cyclohexane 1788.18
    DMSO 788.61
    n-butyl acetate 1729.44
    n-octanol 398.72
    chloroform 1591.89
    n-propyl acetate 1223.18
    acetic acid 155.11
    dichloromethane 1463.97
    cyclohexanone 2075.32
    propylene glycol 46.34
    isopropyl acetate 1115.64
    DMAc 683.28
    2-ethoxyethanol 450.37
    isopentanol 775.81
    n-heptane 1057.92
    ethyl formate 328.49
    1,2-dichloroethane 1240.95
    n-hexanol 645.18
    2-methoxyethanol 502.22
    isobutyl acetate 899.79
    tetrachloromethane 570.45
    n-pentyl acetate 1282.72
    transcutol 2207.48
    n-heptanol 430.36
    ethylbenzene 335.68
    MIBK 1001.94
    2-propoxyethanol 768.24
    tert-butanol 999.12
    MTBE 1555.32
    2-butoxyethanol 714.49
    propionic acid 252.24
    o-xylene 338.78
    formic acid 14.12
    diethyl ether 1449.75
    m-xylene 327.7
    p-xylene 463.84
    chlorobenzene 486.53
    dimethyl carbonate 122.42
    n-octane 255.97
    formamide 28.24
    cyclopentanone 1746.1
    2-pentanone 1157.22
    anisole 495.03
    cyclopentyl methyl ether 1984.6
    gamma-butyrolactone 1338.04
    1-methoxy-2-propanol 684.65
    pyridine 798.41
    3-pentanone 872.51
    furfural 711.49
    n-dodecane 86.61
    diethylene glycol 192.98
    diisopropyl ether 794.16
    tert-amyl alcohol 908.71
    acetylacetone 878.93
    n-hexadecane 109.55
    acetophenone 531.11
    methyl propionate 607.75
    isopentyl acetate 1633.8
    trichloroethylene 1470.23
    n-nonanol 408.35
    cyclohexanol 1125.33
    benzyl alcohol 264.36
    2-ethylhexanol 805.54
    isooctanol 500.61
    dipropyl ether 2628.1
    1,2-dichlorobenzene 544.48
    ethyl lactate 317.45
    propylene carbonate 822.85
    n-methylformamide 143.47
    2-pentanol 698.52
    n-pentane 437.42
    1-propoxy-2-propanol 1108.92
    1-methoxy-2-propyl acetate 1079.7
    2-(2-methoxypropoxy) propanol 505.95
    mesitylene 294.48
    ε-caprolactone 1605.83
    p-cymene 408.85
    epichlorohydrin 1413.49
    1,1,1-trichloroethane 1501.96
    2-aminoethanol 59.07
    morpholine-4-carbaldehyde 814.61
    sulfolane 1809.73
    2,2,4-trimethylpentane 225.27
    2-methyltetrahydrofuran 2347.91
    n-hexyl acetate 1205.33
    isooctane 185.02
    2-(2-butoxyethoxy)ethanol 736.0
    sec-butyl acetate 1083.14
    tert-butyl acetate 1456.15
    decalin 414.86
    glycerin 64.21
    diglyme 1618.58
    acrylic acid 114.9
    isopropyl myristate 542.96
    n-butyric acid 851.48
    acetyl acetate 490.32
    di(2-ethylhexyl) phthalate 259.04
    ethyl propionate 1038.13
    nitromethane 318.28
    1,2-diethoxyethane 1731.29
    benzonitrile 385.2
    trioctyl phosphate 256.91
    1-bromopropane 1342.71
    gamma-valerolactone 1657.58
    n-decanol 282.12
    triethyl phosphate 595.87
    4-methyl-2-pentanol 502.61
    propionitrile 369.04
    vinylene carbonate 465.61
    1,1,2-trichlorotrifluoroethane 787.14
    DMS 427.59
    cumene 281.49
    2-octanol 407.92
    2-hexanone 1100.62
    octyl acetate 548.46
    limonene 912.76
    1,2-dimethoxyethane 1412.69
    ethyl orthosilicate 676.65
    tributyl phosphate 356.83
    diacetone alcohol 973.63
    N,N-dimethylaniline 398.54
    acrylonitrile 233.31
    aniline 331.61
    1,3-propanediol 191.45
    bromobenzene 604.27
    dibromomethane 1234.19
    1,1,2,2-tetrachloroethane 1778.54
    2-methyl-cyclohexyl acetate 1035.84
    tetrabutyl urea 483.91
    diisobutyl methanol 681.17
    2-phenylethanol 347.82
    styrene 353.08
    dioctyl adipate 632.64
    dimethyl sulfate 254.82
    ethyl butyrate 1693.94
    methyl lactate 179.34
    butyl lactate 671.73
    diethyl carbonate 786.25
    propanediol butyl ether 403.68
    triethyl orthoformate 1303.52
    p-tert-butyltoluene 406.93
    methyl 4-tert-butylbenzoate 615.7
    morpholine 1558.23
    tert-butylamine 885.81
    n-dodecanol 211.64
    dimethoxymethane 567.08
    ethylene carbonate 579.45
    cyrene 403.24
    2-ethoxyethyl acetate 956.9
    2-ethylhexyl acetate 1454.42
    1,2,4-trichlorobenzene 607.04
    4-methylpyridine 790.6
    dibutyl ether 1734.16
    2,6-dimethyl-4-heptanol 681.17
    DEF 1112.38
    dimethyl isosorbide 1032.35
    tetrachloroethylene 1117.74
    eugenol 397.53
    triacetin 840.7
    span 80 559.38
    1,4-butanediol 66.1
    1,1-dichloroethane 1240.85
    2-methyl-1-pentanol 502.4
    methyl formate 95.97
    2-methyl-1-butanol 629.87
    n-decane 232.35
    butyronitrile 626.46
    3,7-dimethyl-1-octanol 573.96
    1-chlorooctane 637.28
    1-chlorotetradecane 208.22
    n-nonane 266.74
    undecane 129.35
    tert-butylcyclohexane 341.85
    cyclooctane 477.95
    cyclopentanol 906.35
    tetrahydropyran 2759.45
    tert-amyl methyl ether 1193.42
    2,5,8-trioxanonane 884.65
    1-hexene 1010.57
    2-isopropoxyethanol 508.06
    2,2,2-trifluoroethanol 57.07
    methyl butyrate 1317.47

    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
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%