Vaccenic Acid

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  • Identifiers

    CAS number
    693-72-1

    Molecular formula
    C18H34O2

    SMILES
    CCCCCC/C=C/CCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 82.17%
    Waxy 70.33%
    Oily 53.52%
    Dairy 30.52%
    Creamy 27.78%
    Milky 24.93%
    Meaty 24.35%
    Odorless 23.15%
    Savory 22.44%
    Sweet 22.0%

     

    Flavor
    Fatty 52.96%
    Waxy 42.92%
    Faint 34.35%
    Fat 29.43%
    Mild 28.23%
    Slightly waxy 24.7%
    Oily 24.06%
    Bland 23.9%
    Bay oil 22.93%
    Odorless 21.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.06 (neutral)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    361°C

    Melting point expt.

    • 44 °C

    Flash point

    • 192.68 ˚C est.

  • Synonyms

    • 693-72-1
    • octadec-11-enoic acid
    • VACCENIC ACID
    • (E)-Octadec-11-enoic acid
    • 11E-octadecenoic acid
    • 11-Octadecenoic acid, (E)-
    • GQ72OGU4EV
    • CHEBI:28727
    • CHEBI:36023
    • DTXSID301009341
    • 18:1E(N-7)
    • RefChem:933888
    • Fatty Acid 18:1 n-7 trans
    • DTXCID60841996
    • Trans-octadec-11-enoic acid 18:1 n-7
    • 211-758-9
    • trans-Vaccenic acid
    • trans-11-Octadecenoic acid
    • 11-Octadecenoic acid
    • (11E)-octadec-11-enoic acid
    • trans-octadec-11-enoic acid
    • 143-25-9
    • 11-trans-Octadecenoic acid
    • 11-Octadecenoic acid, (11E)-
    • (E)-11-octadecenoic acid
    • MFCD00002734
    • vaccenate
    • 11-octadecenoate
    • trans-11-octadecenoate
    • C18:1n-7
    • 11-aOctadecenoic acid
    • trans-11-Octadecensaeure
    • Octadec-11-enoicacid
    • (11Z)-Octadecenoate
    • UNII-GQ72OGU4EV
    • 11Z-octadecenoate
    • EINECS 211-758-9
    • cis-Vaccenoyl alcohol
    • Octadec-11-ensaeure
    • 11(E)-vaccenic acid
    • 11-Octadecenoyl alcohol
    • AI3-36458
    • (11E)-Octadecenoic acid
    • (11Z)-Octadecenoic acid
    • C18:1 trans-11
    • Delta(11)-Octadecensaeure
    • 18:1 trans-11
    • octadec-11(E)-enoic acid
    • VACCENIC ACID [MI]
    • SCHEMBL38907
    • orb1296140
    • 11-Octadecen-1-ol, (Z)-
    • VACCENIC ACID [WHO-DD]
    • MSK1741
    • AAA69372
    • LMFA01030077
    • AKOS015892938
    • EBC-615457
    • NCGC00484954-01
    • AS-57528
    • BP-40883
    • C18:1 (n-7)
    • SY257056
    • HY-113427
    • CS-0059470
    • NS00041923
    • trans-Vaccenic acid, >=99% (capillary GC)
    • 18:1 (n-7)
    • C08367
    • F82236
    • Q419047
    • C18:1 (11)
    • F1779992-4E48-4116-9E7B-004DEF567B15
    • TVA
    • 143-25-9

  • Applications

    Vaccenic Acid (trans-11-octadecenoic acid, CAS 693-72-1) is primarily used as a feedstock and intermediate in oleochemical processing to yield fatty acid esters for surfactants and detergents; it is converted to ester derivatives that support lubricant and plasticizer formulations for polymers and plastics; in cosmetics and personal care, it can serve as an emollient and formulation aid; in coatings and inks, it can act as a fatty-acid component to adjust film properties and flow; it also serves as a fatty-acid building block for polymers and as a raw material in cleaning formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.76
    methanol 139.35
    isopropanol 233.2
    water 0.01
    ethyl acetate 230.02
    n-propanol 189.7
    acetone 219.16
    n-butanol 217.45
    acetonitrile 46.84
    DMF 329.07
    toluene 80.71
    isobutanol 173.45
    1,4-dioxane 284.63
    methyl acetate 117.96
    THF 977.7
    2-butanone 248.52
    n-pentanol 192.51
    sec-butanol 207.68
    n-hexane 81.06
    ethylene glycol 6.18
    NMP 476.0
    cyclohexane 134.26
    DMSO 563.04
    n-butyl acetate 350.85
    n-octanol 115.44
    chloroform 313.29
    n-propyl acetate 318.68
    acetic acid 70.93
    dichloromethane 324.87
    cyclohexanone 566.01
    propylene glycol 32.23
    isopropyl acetate 271.08
    DMAc 462.21
    2-ethoxyethanol 268.73
    isopentanol 271.66
    n-heptane 52.84
    ethyl formate 84.26
    1,2-dichloroethane 328.13
    n-hexanol 188.84
    2-methoxyethanol 279.12
    isobutyl acetate 242.84
    tetrachloromethane 84.32
    n-pentyl acetate 343.41
    transcutol 1223.61
    n-heptanol 123.82
    ethylbenzene 84.4
    MIBK 333.93
    2-propoxyethanol 322.41
    tert-butanol 348.58
    MTBE 417.31
    2-butoxyethanol 270.31
    propionic acid 88.77
    o-xylene 84.01
    formic acid 12.78
    diethyl ether 315.09
    m-xylene 90.01
    p-xylene 103.46
    chlorobenzene 116.56
    dimethyl carbonate 42.81
    n-octane 20.94
    formamide 27.64
    cyclopentanone 535.81
    2-pentanone 335.51
    anisole 173.01
    cyclopentyl methyl ether 476.61
    gamma-butyrolactone 397.41
    1-methoxy-2-propanol 349.43
    pyridine 199.23
    3-pentanone 199.59
    furfural 270.52
    n-dodecane 12.23
    diethylene glycol 107.82
    diisopropyl ether 150.43
    tert-amyl alcohol 315.37
    acetylacetone 302.22
    n-hexadecane 14.65
    acetophenone 198.74
    methyl propionate 157.19
    isopentyl acetate 372.69
    trichloroethylene 417.6
    n-nonanol 116.58
    cyclohexanol 276.95
    benzyl alcohol 112.99
    2-ethylhexanol 167.95
    isooctanol 137.9
    dipropyl ether 326.39
    1,2-dichlorobenzene 145.78
    ethyl lactate 107.52
    propylene carbonate 221.38
    n-methylformamide 84.34
    2-pentanol 205.28
    n-pentane 44.17
    1-propoxy-2-propanol 348.44
    1-methoxy-2-propyl acetate 329.23
    2-(2-methoxypropoxy) propanol 231.7
    mesitylene 76.87
    ε-caprolactone 454.27
    p-cymene 70.71
    epichlorohydrin 509.83
    1,1,1-trichloroethane 296.5
    2-aminoethanol 42.82
    morpholine-4-carbaldehyde 380.87
    sulfolane 760.14
    2,2,4-trimethylpentane 36.25
    2-methyltetrahydrofuran 640.29
    n-hexyl acetate 353.82
    isooctane 28.98
    2-(2-butoxyethoxy)ethanol 360.64
    sec-butyl acetate 271.43
    tert-butyl acetate 391.09
    decalin 61.32
    glycerin 45.17
    diglyme 665.47
    acrylic acid 42.47
    isopropyl myristate 133.8
    n-butyric acid 264.57
    acetyl acetate 106.49
    di(2-ethylhexyl) phthalate 94.1
    ethyl propionate 235.09
    nitromethane 135.36
    1,2-diethoxyethane 499.66
    benzonitrile 112.67
    trioctyl phosphate 80.21
    1-bromopropane 258.2
    gamma-valerolactone 649.79
    n-decanol 80.93
    triethyl phosphate 128.89
    4-methyl-2-pentanol 156.48
    propionitrile 79.92
    vinylene carbonate 135.69
    1,1,2-trichlorotrifluoroethane 294.27
    DMS 137.91
    cumene 74.32
    2-octanol 107.41
    2-hexanone 344.32
    octyl acetate 151.31
    limonene 141.83
    1,2-dimethoxyethane 522.04
    ethyl orthosilicate 144.46
    tributyl phosphate 105.79
    diacetone alcohol 388.69
    N,N-dimethylaniline 149.23
    acrylonitrile 62.73
    aniline 94.99
    1,3-propanediol 108.19
    bromobenzene 134.53
    dibromomethane 253.93
    1,1,2,2-tetrachloroethane 492.34
    2-methyl-cyclohexyl acetate 261.69
    tetrabutyl urea 154.99
    diisobutyl methanol 126.39
    2-phenylethanol 130.35
    styrene 89.72
    dioctyl adipate 193.63
    dimethyl sulfate 106.54
    ethyl butyrate 289.22
    methyl lactate 83.42
    butyl lactate 221.7
    diethyl carbonate 132.36
    propanediol butyl ether 214.26
    triethyl orthoformate 231.96
    p-tert-butyltoluene 73.01
    methyl 4-tert-butylbenzoate 227.8
    morpholine 514.72
    tert-butylamine 244.77
    n-dodecanol 58.07
    dimethoxymethane 262.62
    ethylene carbonate 134.98
    cyrene 203.34
    2-ethoxyethyl acetate 328.49
    2-ethylhexyl acetate 298.0
    1,2,4-trichlorobenzene 166.62
    4-methylpyridine 232.9
    dibutyl ether 308.25
    2,6-dimethyl-4-heptanol 126.39
    DEF 354.64
    dimethyl isosorbide 467.42
    tetrachloroethylene 286.01
    eugenol 181.36
    triacetin 286.19
    span 80 226.55
    1,4-butanediol 41.03
    1,1-dichloroethane 260.48
    2-methyl-1-pentanol 209.68
    methyl formate 42.75
    2-methyl-1-butanol 214.27
    n-decane 27.66
    butyronitrile 147.1
    3,7-dimethyl-1-octanol 151.5
    1-chlorooctane 119.12
    1-chlorotetradecane 38.86
    n-nonane 27.42
    undecane 17.23
    tert-butylcyclohexane 53.07
    cyclooctane 38.57
    cyclopentanol 256.52
    tetrahydropyran 591.67
    tert-amyl methyl ether 322.89
    2,5,8-trioxanonane 403.4
    1-hexene 190.38
    2-isopropoxyethanol 257.9
    2,2,2-trifluoroethanol 22.61
    methyl butyrate 335.87

    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