Hexyl (R)-12-hydroxyoleate

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  • Identifiers

    CAS number
    6030-14-4

    Molecular formula
    C24H46O3

    SMILES
    CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 62.87%
    Fatty 57.84%
    Fruity 56.76%
    Waxy 44.79%
    Floral 33.74%
    Herbal 31.8%
    Citrus 31.69%
    Lactonic 29.65%
    Peach 28.98%
    Fresh 28.07%

     

    Flavor
    Waxy 48.24%
    Oily 38.87%
    Fatty 37.69%
    Floral 34.27%
    Fruity 31.07%
    Mild 30.15%
    Soapy 28.9%
    Fresh 25.79%
    Faint 23.93%
    Fat 23.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    7.41 (neutral)

    Molecular weight
    382.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    434°C

    Flash point

    • 195.33 ˚C est.

  • Synonyms

    • 6030-14-4
    • Hexyl (R)-12-hydroxyoleate
    • EINECS 227-905-5
    • Hexyl(R)-12-hydroxyoleate
    • HEXYL (9Z,12R)-12-HYDROXYOCTADEC-9-ENOATE
    • SCHEMBL3657211
    • KITUJVIGXXGBLV-AONZOJHOSA-N
    • DTXSID701271532
    • NS00047098
    • Hexyl (9Z,12R)-12-hydroxy-9-octadecenoate
    • 6030-14-4

  • Applications

    Hexyl (R)-12-hydroxyoleate (CAS 6030-14-4) is commonly used as an emollient in cosmetics and personal care formulations and as an ester intermediate in chemical synthesis; it also serves as a plasticizer and processing aid for polymers and coatings to improve flexibility and processability of PVC, polyurethanes, and related systems; in coatings and inks it can act as a flow modifier and compatibility aid; in industrial manufacturing it may function as a solvent or processing aid for formulation components; and as a lubricant additive or base oil in specialty lubricants, with occasional surfactant or emulsifying roles in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.28
    methanol 51.03
    isopropanol 41.63
    water 0.03
    ethyl acetate 209.59
    n-propanol 51.3
    acetone 158.29
    n-butanol 68.18
    acetonitrile 39.46
    DMF 197.84
    toluene 88.88
    isobutanol 51.05
    1,4-dioxane 233.65
    methyl acetate 118.82
    THF 694.0
    2-butanone 185.26
    n-pentanol 56.56
    sec-butanol 65.2
    n-hexane 18.81
    ethylene glycol 2.77
    NMP 557.59
    cyclohexane 102.02
    DMSO 379.66
    n-butyl acetate 226.19
    n-octanol 70.86
    chloroform 497.3
    n-propyl acetate 237.41
    acetic acid 79.28
    dichloromethane 567.37
    cyclohexanone 605.64
    propylene glycol 10.36
    isopropyl acetate 207.83
    DMAc 507.97
    2-ethoxyethanol 122.78
    isopentanol 92.5
    n-heptane 19.02
    ethyl formate 81.19
    1,2-dichloroethane 403.45
    n-hexanol 55.54
    2-methoxyethanol 125.73
    isobutyl acetate 158.3
    tetrachloromethane 109.94
    n-pentyl acetate 344.86
    transcutol 1032.03
    n-heptanol 64.77
    ethylbenzene 68.24
    MIBK 218.85
    2-propoxyethanol 141.93
    tert-butanol 90.5
    MTBE 168.1
    2-butoxyethanol 174.17
    propionic acid 68.81
    o-xylene 86.04
    formic acid 17.66
    diethyl ether 135.1
    m-xylene 72.58
    p-xylene 91.88
    chlorobenzene 152.03
    dimethyl carbonate 49.67
    n-octane 10.16
    formamide 36.33
    cyclopentanone 528.59
    2-pentanone 235.34
    anisole 147.85
    cyclopentyl methyl ether 339.32
    gamma-butyrolactone 438.37
    1-methoxy-2-propanol 140.84
    pyridine 234.5
    3-pentanone 185.81
    furfural 320.71
    n-dodecane 6.6
    diethylene glycol 51.44
    diisopropyl ether 65.3
    tert-amyl alcohol 118.59
    acetylacetone 302.07
    n-hexadecane 8.12
    acetophenone 193.0
    methyl propionate 146.04
    isopentyl acetate 238.66
    trichloroethylene 698.64
    n-nonanol 73.09
    cyclohexanol 161.21
    benzyl alcohol 80.67
    2-ethylhexanol 69.01
    isooctanol 70.26
    dipropyl ether 143.77
    1,2-dichlorobenzene 196.19
    ethyl lactate 80.15
    propylene carbonate 255.17
    n-methylformamide 63.5
    2-pentanol 62.04
    n-pentane 13.1
    1-propoxy-2-propanol 158.97
    1-methoxy-2-propyl acetate 250.26
    2-(2-methoxypropoxy) propanol 187.38
    mesitylene 59.18
    ε-caprolactone 520.61
    p-cymene 54.64
    epichlorohydrin 549.13
    1,1,1-trichloroethane 393.74
    2-aminoethanol 14.35
    morpholine-4-carbaldehyde 374.1
    sulfolane 823.09
    2,2,4-trimethylpentane 18.65
    2-methyltetrahydrofuran 463.64
    n-hexyl acetate 327.09
    isooctane 9.76
    2-(2-butoxyethoxy)ethanol 266.47
    sec-butyl acetate 198.64
    tert-butyl acetate 303.54
    decalin 38.22
    glycerin 21.12
    diglyme 635.49
    acrylic acid 44.73
    isopropyl myristate 100.54
    n-butyric acid 192.95
    acetyl acetate 134.88
    di(2-ethylhexyl) phthalate 84.89
    ethyl propionate 188.9
    nitromethane 179.23
    1,2-diethoxyethane 340.56
    benzonitrile 102.87
    trioctyl phosphate 61.48
    1-bromopropane 203.49
    gamma-valerolactone 681.52
    n-decanol 45.33
    triethyl phosphate 119.25
    4-methyl-2-pentanol 55.52
    propionitrile 55.31
    vinylene carbonate 181.97
    1,1,2-trichlorotrifluoroethane 328.1
    DMS 139.87
    cumene 52.96
    2-octanol 58.74
    2-hexanone 215.9
    octyl acetate 124.5
    limonene 107.3
    1,2-dimethoxyethane 331.86
    ethyl orthosilicate 128.31
    tributyl phosphate 86.22
    diacetone alcohol 256.26
    N,N-dimethylaniline 115.7
    acrylonitrile 53.08
    aniline 86.52
    1,3-propanediol 40.42
    bromobenzene 185.37
    dibromomethane 343.64
    1,1,2,2-tetrachloroethane 655.73
    2-methyl-cyclohexyl acetate 211.95
    tetrabutyl urea 138.3
    diisobutyl methanol 58.52
    2-phenylethanol 82.03
    styrene 77.52
    dioctyl adipate 183.06
    dimethyl sulfate 136.86
    ethyl butyrate 217.27
    methyl lactate 66.24
    butyl lactate 195.51
    diethyl carbonate 113.48
    propanediol butyl ether 142.03
    triethyl orthoformate 183.26
    p-tert-butyltoluene 52.64
    methyl 4-tert-butylbenzoate 240.51
    morpholine 339.47
    tert-butylamine 62.17
    n-dodecanol 31.46
    dimethoxymethane 167.28
    ethylene carbonate 169.17
    cyrene 185.68
    2-ethoxyethyl acetate 386.23
    2-ethylhexyl acetate 204.86
    1,2,4-trichlorobenzene 240.42
    4-methylpyridine 233.1
    dibutyl ether 190.46
    2,6-dimethyl-4-heptanol 58.52
    DEF 312.43
    dimethyl isosorbide 426.74
    tetrachloroethylene 404.25
    eugenol 171.13
    triacetin 333.89
    span 80 181.95
    1,4-butanediol 15.38
    1,1-dichloroethane 287.32
    2-methyl-1-pentanol 83.15
    methyl formate 44.98
    2-methyl-1-butanol 83.97
    n-decane 15.82
    butyronitrile 80.25
    3,7-dimethyl-1-octanol 82.78
    1-chlorooctane 81.34
    1-chlorotetradecane 23.99
    n-nonane 14.48
    undecane 9.46
    tert-butylcyclohexane 25.05
    cyclooctane 24.49
    cyclopentanol 131.63
    tetrahydropyran 415.06
    tert-amyl methyl ether 175.41
    2,5,8-trioxanonane 363.68
    1-hexene 53.38
    2-isopropoxyethanol 117.49
    2,2,2-trifluoroethanol 36.19
    methyl butyrate 272.79

    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