Heptyl oleate

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  • Identifiers

    CAS number
    42254-63-7

    Molecular formula
    C25H48O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCC

  • Odor profile

    Fragrance
    Fatty 72.13%
    Oily 65.95%
    Waxy 63.07%
    Fruity 41.7%
    Sweet 30.76%
    Creamy 26.89%
    Dairy 25.0%
    Odorless 24.93%
    Floral 24.5%
    Winey 22.47%

     

    Flavor
    Waxy 50.82%
    Fatty 38.72%
    Oily 33.69%
    Mild 32.53%
    Faint 31.01%
    Bland 25.42%
    Soapy 25.21%
    Fat 24.66%
    Slightly waxy 23.93%
    Beer 22.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.5

    pKa est.
    7.29 (neutral)

    Molecular weight
    380.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    432°C

    Flash point

    • 191.8 ˚C est.

  • Synonyms

    • Heptyl oleate
    • 42254-63-7
    • EINECS 255-738-8
    • 9-Octadecenoic acid (Z)-, heptyl ester
    • Heptyl (9Z)-9-octadecenoate
    • SCHEMBL332644
    • XSCIEKYDPGHXMD-YPKPFQOOSA-N
    • DTXSID301309929
    • NS00057367

  • Applications

    Heptyl oleate is a long-chain fatty ester commonly used as an emollient in cosmetics and personal care. It also can function as a solvent or carrier for fragrances in perfumery and fragrance products. It is used as a carrier or solvent in coatings and inks. It can act as a plasticizer for polymers to improve flexibility of vinyl or other resins. It may be used as a solvent or processing aid in household products and cleaners. It can serve as an industrial lubricant base or carrier oil in lubricants. It may also serve as an intermediate in chemical synthesis or as a feedstock for ester-based formulations. Chemical name: Heptyl oleate; CAS number: 42254-63-7.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.33
    methanol 46.31
    isopropanol 63.02
    water 0.05
    ethyl acetate 490.39
    n-propanol 78.89
    acetone 278.83
    n-butanol 114.02
    acetonitrile 87.51
    DMF 323.62
    toluene 216.02
    isobutanol 92.31
    1,4-dioxane 420.08
    methyl acetate 253.83
    THF 1037.06
    2-butanone 382.69
    n-pentanol 92.17
    sec-butanol 118.25
    n-hexane 74.33
    ethylene glycol 3.46
    NMP 1019.06
    cyclohexane 413.56
    DMSO 459.62
    n-butyl acetate 546.22
    n-octanol 135.63
    chloroform 1168.41
    n-propyl acetate 574.57
    acetic acid 111.13
    dichloromethane 1353.45
    cyclohexanone 1283.52
    propylene glycol 12.48
    isopropyl acetate 495.63
    DMAc 807.94
    2-ethoxyethanol 172.25
    isopentanol 164.54
    n-heptane 76.79
    ethyl formate 162.81
    1,2-dichloroethane 958.47
    n-hexanol 91.84
    2-methoxyethanol 153.82
    isobutyl acetate 379.05
    tetrachloromethane 339.29
    n-pentyl acetate 850.35
    transcutol 1221.85
    n-heptanol 118.23
    ethylbenzene 170.67
    MIBK 490.17
    2-propoxyethanol 194.86
    tert-butanol 152.18
    MTBE 364.08
    2-butoxyethanol 276.66
    propionic acid 125.91
    o-xylene 213.98
    formic acid 19.27
    diethyl ether 330.66
    m-xylene 172.64
    p-xylene 247.89
    chlorobenzene 382.37
    dimethyl carbonate 98.87
    n-octane 38.5
    formamide 45.96
    cyclopentanone 1047.9
    2-pentanone 495.25
    anisole 325.08
    cyclopentyl methyl ether 739.36
    gamma-butyrolactone 858.36
    1-methoxy-2-propanol 194.87
    pyridine 505.94
    3-pentanone 422.99
    furfural 567.1
    n-dodecane 19.54
    diethylene glycol 58.39
    diisopropyl ether 186.54
    tert-amyl alcohol 225.09
    acetylacetone 583.58
    n-hexadecane 24.73
    acetophenone 427.81
    methyl propionate 320.11
    isopentyl acetate 557.08
    trichloroethylene 1488.02
    n-nonanol 140.32
    cyclohexanol 333.01
    benzyl alcohol 145.63
    2-ethylhexanol 143.51
    isooctanol 137.61
    dipropyl ether 377.2
    1,2-dichlorobenzene 511.58
    ethyl lactate 149.4
    propylene carbonate 509.53
    n-methylformamide 103.1
    2-pentanol 121.74
    n-pentane 50.13
    1-propoxy-2-propanol 253.79
    1-methoxy-2-propyl acetate 476.92
    2-(2-methoxypropoxy) propanol 272.07
    mesitylene 151.4
    ε-caprolactone 1096.24
    p-cymene 142.54
    epichlorohydrin 1014.04
    1,1,1-trichloroethane 1074.82
    2-aminoethanol 17.6
    morpholine-4-carbaldehyde 614.42
    sulfolane 1414.8
    2,2,4-trimethylpentane 58.34
    2-methyltetrahydrofuran 931.24
    n-hexyl acetate 721.25
    isooctane 30.1
    2-(2-butoxyethoxy)ethanol 371.85
    sec-butyl acetate 492.23
    tert-butyl acetate 679.99
    decalin 124.85
    glycerin 23.06
    diglyme 1000.31
    acrylic acid 79.56
    isopropyl myristate 229.49
    n-butyric acid 360.01
    acetyl acetate 307.01
    di(2-ethylhexyl) phthalate 158.32
    ethyl propionate 483.03
    nitromethane 294.56
    1,2-diethoxyethane 667.47
    benzonitrile 221.41
    trioctyl phosphate 121.53
    1-bromopropane 555.75
    gamma-valerolactone 1218.46
    n-decanol 87.74
    triethyl phosphate 266.56
    4-methyl-2-pentanol 103.69
    propionitrile 129.1
    vinylene carbonate 368.53
    1,1,2-trichlorotrifluoroethane 535.48
    DMS 302.28
    cumene 129.51
    2-octanol 127.73
    2-hexanone 479.76
    octyl acetate 271.33
    limonene 294.12
    1,2-dimethoxyethane 572.78
    ethyl orthosilicate 285.72
    tributyl phosphate 177.32
    diacetone alcohol 445.56
    N,N-dimethylaniline 247.83
    acrylonitrile 113.42
    aniline 178.68
    1,3-propanediol 48.75
    bromobenzene 508.36
    dibromomethane 872.37
    1,1,2,2-tetrachloroethane 1507.08
    2-methyl-cyclohexyl acetate 473.28
    tetrabutyl urea 282.33
    diisobutyl methanol 127.64
    2-phenylethanol 138.41
    styrene 196.02
    dioctyl adipate 368.94
    dimethyl sulfate 247.09
    ethyl butyrate 556.47
    methyl lactate 102.46
    butyl lactate 380.81
    diethyl carbonate 276.69
    propanediol butyl ether 200.33
    triethyl orthoformate 432.63
    p-tert-butyltoluene 129.18
    methyl 4-tert-butylbenzoate 476.86
    morpholine 568.32
    tert-butylamine 120.3
    n-dodecanol 61.08
    dimethoxymethane 262.49
    ethylene carbonate 364.0
    cyrene 289.5
    2-ethoxyethyl acetate 772.22
    2-ethylhexyl acetate 518.55
    1,2,4-trichlorobenzene 593.64
    4-methylpyridine 525.92
    dibutyl ether 500.41
    2,6-dimethyl-4-heptanol 127.64
    DEF 657.28
    dimethyl isosorbide 672.98
    tetrachloroethylene 940.55
    eugenol 301.46
    triacetin 664.22
    span 80 287.26
    1,4-butanediol 21.42
    1,1-dichloroethane 742.09
    2-methyl-1-pentanol 140.64
    methyl formate 76.12
    2-methyl-1-butanol 152.53
    n-decane 50.13
    butyronitrile 189.26
    3,7-dimethyl-1-octanol 161.33
    1-chlorooctane 228.39
    1-chlorotetradecane 63.86
    n-nonane 50.41
    undecane 28.94
    tert-butylcyclohexane 79.11
    cyclooctane 104.62
    cyclopentanol 254.89
    tetrahydropyran 847.84
    tert-amyl methyl ether 398.67
    2,5,8-trioxanonane 511.13
    1-hexene 154.6
    2-isopropoxyethanol 181.23
    2,2,2-trifluoroethanol 59.55
    methyl butyrate 666.38

    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