2-Heptadecenoic acid

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  • Identifiers

    CAS number
    26265-99-6

    Molecular formula
    C17H32O2

    SMILES
    CCCCCCCCCCCCCC/C=C/C(=O)O

  • Odor profile

    Fatty 85.71%
    Waxy 66.14%
    Oily 51.28%
    Dairy 38.78%
    Milky 33.02%
    Creamy 29.97%
    Citrus 29.06%
    Meaty 28.32%
    Soapy 23.78%
    Savory 23.71%

    Scent© AI

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.08 (neutral)

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Flash point est.
    188.56 ˚C

  • Synonyms

    • 2-heptadecenoic acid
    • (E)-heptadec-2-enoic acid
    • 26265-99-6
    • 2-heptadecylenic acid
    • C17:1n-15
    • HEPTADECENOICACID
    • trans-2-heptadecenoic acid
    • (E)-2-heptadecenoic acid
    • trans-heptadec-2-enoic acid
    • (2E)-2-heptadecenoic acid
    • (2E)-heptadec-2-enoic acid
    • HEPTADEC-2-ENOIC ACID
    • SCHEMBL258102
    • CHEBI:79000
    • LMFA01030059

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.45
    methanol 88.46
    isopropanol 154.42
    water 0.01
    ethyl acetate 167.94
    n-propanol 134.88
    acetone 140.27
    n-butanol 144.17
    acetonitrile 35.14
    DMF 281.9
    toluene 67.16
    isobutanol 124.17
    1,4-dioxane 178.27
    methyl acetate 93.85
    THF 782.56
    2-butanone 191.95
    n-pentanol 128.62
    sec-butanol 145.83
    n-hexane 61.85
    ethylene glycol 4.58
    NMP 478.08
    cyclohexane 103.19
    DMSO 445.15
    n-butyl acetate 295.26
    n-octanol 86.54
    chloroform 279.35
    n-propyl acetate 243.6
    acetic acid 50.1
    dichloromethane 295.46
    cyclohexanone 483.04
    propylene glycol 23.86
    isopropyl acetate 200.86
    DMAc 366.99
    2-ethoxyethanol 178.28
    isopentanol 184.35
    n-heptane 44.41
    ethyl formate 68.42
    1,2-dichloroethane 304.15
    n-hexanol 135.9
    2-methoxyethanol 194.43
    isobutyl acetate 190.83
    tetrachloromethane 80.94
    n-pentyl acetate 281.78
    transcutol 719.47
    n-heptanol 91.79
    ethylbenzene 66.56
    MIBK 247.29
    2-propoxyethanol 236.13
    tert-butanol 234.56
    MTBE 283.5
    2-butoxyethanol 204.02
    propionic acid 73.02
    o-xylene 67.38
    formic acid 9.36
    diethyl ether 199.27
    m-xylene 73.26
    p-xylene 86.91
    chlorobenzene 103.55
    dimethyl carbonate 35.02
    n-octane 18.64
    formamide 20.84
    cyclopentanone 522.63
    2-pentanone 244.53
    anisole 132.1
    cyclopentyl methyl ether 391.11
    gamma-butyrolactone 383.98
    1-methoxy-2-propanol 247.98
    pyridine 174.23
    3-pentanone 155.58
    furfural 245.77
    n-dodecane 10.24
    diethylene glycol 74.28
    diisopropyl ether 110.03
    tert-amyl alcohol 218.59
    acetylacetone 232.55
    n-hexadecane 12.29
    acetophenone 163.23
    methyl propionate 127.95
    isopentyl acetate 314.69
    trichloroethylene 391.58
    n-nonanol 87.92
    cyclohexanol 203.17
    benzyl alcohol 87.78
    2-ethylhexanol 125.38
    isooctanol 105.85
    dipropyl ether 249.33
    1,2-dichlorobenzene 134.57
    ethyl lactate 87.69
    propylene carbonate 208.46
    n-methylformamide 70.76
    2-pentanol 140.04
    n-pentane 36.54
    1-propoxy-2-propanol 267.92
    1-methoxy-2-propyl acetate 256.86
    2-(2-methoxypropoxy) propanol 171.93
    mesitylene 66.28
    ε-caprolactone 374.46
    p-cymene 62.24
    epichlorohydrin 461.18
    1,1,1-trichloroethane 268.05
    2-aminoethanol 31.57
    morpholine-4-carbaldehyde 316.42
    sulfolane 781.74
    2,2,4-trimethylpentane 28.86
    2-methyltetrahydrofuran 509.95
    n-hexyl acetate 274.77
    isooctane 23.7
    2-(2-butoxyethoxy)ethanol 250.01
    sec-butyl acetate 210.66
    tert-butyl acetate 304.16
    decalin 47.58
    glycerin 32.17
    diglyme 475.09
    acrylic acid 36.88
    isopropyl myristate 108.38
    n-butyric acid 193.16
    acetyl acetate 80.53
    di(2-ethylhexyl) phthalate 75.23
    ethyl propionate 180.57
    nitromethane 100.66
    1,2-diethoxyethane 342.11
    benzonitrile 96.26
    trioctyl phosphate 64.75
    1-bromopropane 230.67
    gamma-valerolactone 544.08
    n-decanol 61.92
    triethyl phosphate 108.68
    4-methyl-2-pentanol 110.62
    propionitrile 63.08
    vinylene carbonate 123.6
    1,1,2-trichlorotrifluoroethane 257.63
    DMS 111.72
    cumene 61.26
    2-octanol 83.84
    2-hexanone 259.05
    octyl acetate 122.98
    limonene 120.28
    1,2-dimethoxyethane 364.63
    ethyl orthosilicate 115.45
    tributyl phosphate 86.42
    diacetone alcohol 295.97
    N,N-dimethylaniline 118.47
    acrylonitrile 54.39
    aniline 79.06
    1,3-propanediol 73.4
    bromobenzene 120.85
    dibromomethane 229.89
    1,1,2,2-tetrachloroethane 456.71
    2-methyl-cyclohexyl acetate 221.46
    tetrabutyl urea 130.12
    diisobutyl methanol 99.64
    2-phenylethanol 104.93
    styrene 72.14
    dioctyl adipate 153.23
    dimethyl sulfate 95.21
    ethyl butyrate 237.81
    methyl lactate 65.19
    butyl lactate 176.46
    diethyl carbonate 111.05
    propanediol butyl ether 154.96
    triethyl orthoformate 187.97
    p-tert-butyltoluene 64.97
    methyl 4-tert-butylbenzoate 182.27
    morpholine 339.0
    tert-butylamine 175.78
    n-dodecanol 44.58
    dimethoxymethane 179.04
    ethylene carbonate 120.42
    cyrene 171.24
    2-ethoxyethyl acetate 243.57
    2-ethylhexyl acetate 258.16
    1,2,4-trichlorobenzene 159.14
    4-methylpyridine 194.87
    dibutyl ether 224.08
    2,6-dimethyl-4-heptanol 99.64
    DEF 278.03
    dimethyl isosorbide 384.44
    tetrachloroethylene 258.32
    eugenol 146.91
    triacetin 216.5
    span 80 169.8
    1,4-butanediol 28.11
    1,1-dichloroethane 228.2
    2-methyl-1-pentanol 143.97
    methyl formate 37.03
    2-methyl-1-butanol 149.02
    n-decane 22.72
    butyronitrile 109.89
    3,7-dimethyl-1-octanol 112.21
    1-chlorooctane 101.1
    1-chlorotetradecane 33.34
    n-nonane 23.02
    undecane 14.39
    tert-butylcyclohexane 43.69
    cyclooctane 31.0
    cyclopentanol 207.79
    tetrahydropyran 403.33
    tert-amyl methyl ether 236.78
    2,5,8-trioxanonane 282.46
    1-hexene 142.74
    2-isopropoxyethanol 174.28
    2,2,2-trifluoroethanol 18.12
    methyl butyrate 259.47

    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
Thyme 3 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.2%
Thyme 4 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 2.57%