Cetyl Acetate

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  • Identifiers

    CAS number
    629-70-9

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCCCCCCCCOC(=O)C

    Retention indicies (RI)

    • DB5: 2009.0

  • Odor profile

    Waxy 73.52%
    Fatty 64.7%
    Oily 58.31%
    Fruity 50.24%
    Sweet 43.62%
    Clean 32.71%
    Fresh 31.21%
    Creamy 28.87%
    Citrus 28.47%
    Floral 27.58%

    Scent© AI

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    7.49 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point est.
    152.69 ˚C

  • Synonyms

    • Palmityl acetate
    • Hexadecyl acetate
    • Cetyl acetate
    • 629-70-9
    • 1-Hexadecanol, acetate
    • 1-Acetoxyhexadecane
    • n-Hexadecyl ethanoate
    • Hexadecanol acetate
    • Acetic acid, hexadecyl ester
    • ENT 1025
    • 1-Hexadecanol, 1-acetate
    • NSC 8492
    • 1-HEXADECANOL ACETATE
    • EINECS 211-103-7
    • n-hexadecyl acetate
    • BRN 1782695
    • PELEMOL CA
    • AI3-01025
    • 4Q43814HXS
    • NSC-8492
    • DTXSID2052312
    • CHEBI:146185
    • 4-02-00-00171 (Beilstein Handbook Reference)
    • PALMITYLACETATE
    • UNII-4Q43814HXS
    • Acelan A
    • 1Acetoxyhexadecane
    • hexadecanyl acetate
    • nHexadecyl ethanoate
    • MFCD00056152
    • 1Hexadecanol, acetate
    • 1Hexadecanol, 1acetate
    • Acetic acid hexadecyl ester
    • CETYL ACETATE [INCI]
    • SCHEMBL118101
    • CHEMBL137354
    • DTXCID9030884
    • NSC8492
    • AAA62970
    • LMFA07010379
    • AKOS024390930
    • HY-W127540
    • AS-10426
    • CS-0185766
    • NS00001403
    • E82294
    • Q27260353
    • 211-103-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.21
    methanol 75.93
    isopropanol 139.16
    water 0.01
    ethyl acetate 647.31
    n-propanol 130.28
    acetone 342.73
    n-butanol 162.29
    acetonitrile 145.34
    DMF 541.91
    toluene 245.55
    isobutanol 153.55
    1,4-dioxane 569.46
    methyl acetate 345.61
    THF 1354.95
    2-butanone 515.53
    n-pentanol 129.28
    sec-butanol 180.95
    n-hexane 114.34
    ethylene glycol 5.25
    NMP 1134.33
    cyclohexane 473.47
    DMSO 590.21
    n-butyl acetate 759.95
    n-octanol 152.22
    chloroform 1486.68
    n-propyl acetate 771.97
    acetic acid 126.77
    dichloromethane 1479.38
    cyclohexanone 1565.93
    propylene glycol 21.62
    isopropyl acetate 613.72
    DMAc 831.75
    2-ethoxyethanol 241.2
    isopentanol 230.75
    n-heptane 119.28
    ethyl formate 229.4
    1,2-dichloroethane 1054.38
    n-hexanol 150.81
    2-methoxyethanol 258.45
    isobutyl acetate 514.61
    tetrachloromethane 379.33
    n-pentyl acetate 828.24
    transcutol 1298.77
    n-heptanol 126.83
    ethylbenzene 210.98
    MIBK 565.15
    2-propoxyethanol 290.9
    tert-butanol 288.93
    MTBE 563.91
    2-butoxyethanol 311.1
    propionic acid 161.93
    o-xylene 236.56
    formic acid 18.14
    diethyl ether 471.59
    m-xylene 207.46
    p-xylene 317.12
    chlorobenzene 442.75
    dimethyl carbonate 102.92
    n-octane 45.07
    formamide 42.13
    cyclopentanone 1380.29
    2-pentanone 606.62
    anisole 394.89
    cyclopentyl methyl ether 952.41
    gamma-butyrolactone 1189.97
    1-methoxy-2-propanol 323.09
    pyridine 640.62
    3-pentanone 496.89
    furfural 759.97
    n-dodecane 23.26
    diethylene glycol 93.24
    diisopropyl ether 256.6
    tert-amyl alcohol 318.17
    acetylacetone 709.46
    n-hexadecane 30.17
    acetophenone 476.9
    methyl propionate 401.56
    isopentyl acetate 730.07
    trichloroethylene 1624.87
    n-nonanol 160.11
    cyclohexanol 435.14
    benzyl alcohol 204.78
    2-ethylhexanol 215.16
    isooctanol 157.48
    dipropyl ether 617.08
    1,2-dichlorobenzene 563.75
    ethyl lactate 206.82
    propylene carbonate 681.78
    n-methylformamide 146.65
    2-pentanol 174.66
    n-pentane 61.45
    1-propoxy-2-propanol 375.8
    1-methoxy-2-propyl acetate 596.87
    2-(2-methoxypropoxy) propanol 327.81
    mesitylene 180.15
    ε-caprolactone 1220.95
    p-cymene 181.73
    epichlorohydrin 1216.36
    1,1,1-trichloroethane 1280.1
    2-aminoethanol 29.24
    morpholine-4-carbaldehyde 810.67
    sulfolane 1813.93
    2,2,4-trimethylpentane 57.69
    2-methyltetrahydrofuran 1158.06
    n-hexyl acetate 787.55
    isooctane 37.53
    2-(2-butoxyethoxy)ethanol 434.24
    sec-butyl acetate 630.72
    tert-butyl acetate 822.58
    decalin 153.16
    glycerin 38.34
    diglyme 993.38
    acrylic acid 95.13
    isopropyl myristate 282.31
    n-butyric acid 446.57
    acetyl acetate 375.6
    di(2-ethylhexyl) phthalate 176.97
    ethyl propionate 663.69
    nitromethane 350.15
    1,2-diethoxyethane 757.94
    benzonitrile 337.94
    trioctyl phosphate 141.7
    1-bromopropane 710.28
    gamma-valerolactone 1529.02
    n-decanol 103.01
    triethyl phosphate 336.9
    4-methyl-2-pentanol 145.44
    propionitrile 214.91
    vinylene carbonate 465.32
    1,1,2-trichlorotrifluoroethane 696.13
    DMS 370.95
    cumene 161.36
    2-octanol 141.65
    2-hexanone 629.78
    octyl acetate 312.28
    limonene 380.38
    1,2-dimethoxyethane 860.2
    ethyl orthosilicate 336.75
    tributyl phosphate 208.19
    diacetone alcohol 550.16
    N,N-dimethylaniline 295.65
    acrylonitrile 200.47
    aniline 227.38
    1,3-propanediol 74.04
    bromobenzene 568.08
    dibromomethane 1037.75
    1,1,2,2-tetrachloroethane 1771.56
    2-methyl-cyclohexyl acetate 587.29
    tetrabutyl urea 317.12
    diisobutyl methanol 182.33
    2-phenylethanol 204.45
    styrene 251.41
    dioctyl adipate 426.91
    dimethyl sulfate 268.03
    ethyl butyrate 787.12
    methyl lactate 132.37
    butyl lactate 409.9
    diethyl carbonate 389.94
    propanediol butyl ether 232.22
    triethyl orthoformate 582.33
    p-tert-butyltoluene 170.5
    methyl 4-tert-butylbenzoate 476.56
    morpholine 811.58
    tert-butylamine 227.31
    n-dodecanol 74.92
    dimethoxymethane 348.12
    ethylene carbonate 480.64
    cyrene 339.96
    2-ethoxyethyl acetate 706.78
    2-ethylhexyl acetate 645.04
    1,2,4-trichlorobenzene 656.32
    4-methylpyridine 660.16
    dibutyl ether 631.16
    2,6-dimethyl-4-heptanol 182.33
    DEF 799.54
    dimethyl isosorbide 812.18
    tetrachloroethylene 1065.63
    eugenol 331.55
    triacetin 695.19
    span 80 342.89
    1,4-butanediol 32.08
    1,1-dichloroethane 931.44
    2-methyl-1-pentanol 183.71
    methyl formate 102.04
    2-methyl-1-butanol 198.85
    n-decane 58.22
    butyronitrile 303.26
    3,7-dimethyl-1-octanol 201.89
    1-chlorooctane 266.4
    1-chlorotetradecane 83.49
    n-nonane 58.84
    undecane 33.89
    tert-butylcyclohexane 110.36
    cyclooctane 107.83
    cyclopentanol 397.64
    tetrahydropyran 1095.27
    tert-amyl methyl ether 529.98
    2,5,8-trioxanonane 599.47
    1-hexene 244.91
    2-isopropoxyethanol 250.89
    2,2,2-trifluoroethanol 59.45
    methyl butyrate 901.8

    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
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 0.25%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 0.34%
Cochlospermum planchonii tubercle Cochlospermum planchonii A.Rich, fam. Bixaceae (Cochlospermaceae) 1.0%
Cochlospermum tinctorium tubercle Cochlospermum tinctorium (Hook.), fam. Bixaceae (Cochlospermaceae) 2.7%
Clove leaf (India) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.09%