1-Dodecanol, 2-octyl-, 1-acetate

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  • Identifiers

    CAS number
    74051-84-6

    Molecular formula
    C22H44O2

    SMILES
    CCCCCCCCCCC(CCCCCCCC)COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 70.06%
    Fatty 60.34%
    Oily 55.12%
    Fruity 40.94%
    Sweet 29.99%
    Fresh 28.15%
    Clean 25.99%
    Floral 25.79%
    Odorless 24.19%
    Creamy 24.15%

     

    Flavor
    Waxy 57.0%
    Mild 40.31%
    Oily 38.89%
    Fatty 37.98%
    Bland 30.53%
    Fat 30.21%
    Soapy 29.11%
    Faint 28.82%
    Wax 26.38%
    Slightly waxy 25.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    7.38 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    382°C

    Flash point

    • 165.89 ˚C est.

  • Synonyms

    • 2-Octyldodecyl acetate
    • 2-Octyl-1-dodecanol acetate
    • 1-Dodecanol, 2-octyl-, 1-acetate
    • EINECS 277-684-4
    • DTXSID80888424
    • RefChem:75642
    • DTXCID401027702
    • 277-684-4
    • WHCASFSSRGWZGS-UHFFFAOYSA-N
    • 74051-84-6
    • 1-Dodecanol, 2-octyl-, acetate
    • 2-Octyldodecane-1-yl acetate
    • SCHEMBL19025446
    • DB-203474
    • NS00061384
    • 74051-84-6

  • Applications

    1-Dodecanol, 2-octyl-, 1-acetate (CAS 74051-84-6) is a long-chain fatty alcohol ester used in industry for several purposes: a fragrance ingredient and fixative in perfumery; a solvent and emulsifier in cosmetics and personal care; a softening agent and additive for coatings, inks, and adhesives in coatings/inks; a plasticizer or solvent for polymer systems; and occasionally an intermediate in organic synthesis for specialty chemicals. Its use depends on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.3
    methanol 141.28
    isopropanol 295.44
    water 0.03
    ethyl acetate 1560.3
    n-propanol 286.18
    acetone 839.35
    n-butanol 373.26
    acetonitrile 295.77
    DMF 946.26
    toluene 527.26
    isobutanol 334.13
    1,4-dioxane 1124.31
    methyl acetate 757.02
    THF 2467.03
    2-butanone 1101.31
    n-pentanol 248.62
    sec-butanol 399.23
    n-hexane 183.2
    ethylene glycol 8.84
    NMP 1954.11
    cyclohexane 886.18
    DMSO 959.93
    n-butyl acetate 1567.84
    n-octanol 295.01
    chloroform 2749.03
    n-propyl acetate 1576.39
    acetic acid 259.96
    dichloromethane 2920.06
    cyclohexanone 3213.35
    propylene glycol 38.49
    isopropyl acetate 1527.25
    DMAc 1684.51
    2-ethoxyethanol 447.53
    isopentanol 519.4
    n-heptane 177.82
    ethyl formate 485.21
    1,2-dichloroethane 2235.54
    n-hexanol 278.2
    2-methoxyethanol 476.28
    isobutyl acetate 1057.58
    tetrachloromethane 724.79
    n-pentyl acetate 1763.22
    transcutol 2417.62
    n-heptanol 260.03
    ethylbenzene 382.12
    MIBK 1290.87
    2-propoxyethanol 528.13
    tert-butanol 582.69
    MTBE 1220.26
    2-butoxyethanol 632.41
    propionic acid 347.87
    o-xylene 491.77
    formic acid 32.54
    diethyl ether 979.62
    m-xylene 424.52
    p-xylene 590.64
    chlorobenzene 930.6
    dimethyl carbonate 237.85
    n-octane 77.8
    formamide 84.27
    cyclopentanone 2634.28
    2-pentanone 1400.7
    anisole 720.05
    cyclopentyl methyl ether 1798.44
    gamma-butyrolactone 2238.94
    1-methoxy-2-propanol 614.95
    pyridine 1209.2
    3-pentanone 1059.06
    furfural 1289.53
    n-dodecane 38.29
    diethylene glycol 160.09
    diisopropyl ether 556.61
    tert-amyl alcohol 657.46
    acetylacetone 1583.27
    n-hexadecane 49.87
    acetophenone 872.79
    methyl propionate 926.95
    isopentyl acetate 1577.05
    trichloroethylene 3227.77
    n-nonanol 301.68
    cyclohexanol 915.49
    benzyl alcohol 362.41
    2-ethylhexanol 392.75
    isooctanol 322.42
    dipropyl ether 992.14
    1,2-dichlorobenzene 1108.67
    ethyl lactate 389.8
    propylene carbonate 1326.94
    n-methylformamide 293.26
    2-pentanol 397.0
    n-pentane 117.87
    1-propoxy-2-propanol 686.02
    1-methoxy-2-propyl acetate 1308.83
    2-(2-methoxypropoxy) propanol 552.41
    mesitylene 354.86
    ε-caprolactone 2566.53
    p-cymene 325.46
    epichlorohydrin 2335.38
    1,1,1-trichloroethane 2665.13
    2-aminoethanol 50.3
    morpholine-4-carbaldehyde 1493.36
    sulfolane 3140.23
    2,2,4-trimethylpentane 125.88
    2-methyltetrahydrofuran 2310.07
    n-hexyl acetate 1583.55
    isooctane 74.89
    2-(2-butoxyethoxy)ethanol 754.35
    sec-butyl acetate 1368.32
    tert-butyl acetate 1871.73
    decalin 250.88
    glycerin 61.1
    diglyme 1909.17
    acrylic acid 190.47
    isopropyl myristate 518.1
    n-butyric acid 1009.9
    acetyl acetate 904.4
    di(2-ethylhexyl) phthalate 322.66
    ethyl propionate 1372.21
    nitromethane 760.01
    1,2-diethoxyethane 1479.14
    benzonitrile 624.16
    trioctyl phosphate 252.64
    1-bromopropane 1348.92
    gamma-valerolactone 2992.97
    n-decanol 191.49
    triethyl phosphate 575.87
    4-methyl-2-pentanol 327.35
    propionitrile 428.69
    vinylene carbonate 926.84
    1,1,2-trichlorotrifluoroethane 1217.96
    DMS 765.61
    cumene 286.33
    2-octanol 297.59
    2-hexanone 1213.62
    octyl acetate 601.43
    limonene 701.55
    1,2-dimethoxyethane 1520.48
    ethyl orthosilicate 574.87
    tributyl phosphate 364.44
    diacetone alcohol 1178.85
    N,N-dimethylaniline 508.78
    acrylonitrile 371.79
    aniline 459.83
    1,3-propanediol 154.96
    bromobenzene 1160.23
    dibromomethane 1886.37
    1,1,2,2-tetrachloroethane 3233.05
    2-methyl-cyclohexyl acetate 1035.51
    tetrabutyl urea 542.04
    diisobutyl methanol 328.38
    2-phenylethanol 365.91
    styrene 462.39
    dioctyl adipate 752.54
    dimethyl sulfate 540.5
    ethyl butyrate 1496.43
    methyl lactate 273.89
    butyl lactate 828.5
    diethyl carbonate 717.23
    propanediol butyl ether 440.29
    triethyl orthoformate 1073.73
    p-tert-butyltoluene 304.71
    methyl 4-tert-butylbenzoate 901.07
    morpholine 1555.26
    tert-butylamine 419.35
    n-dodecanol 137.2
    dimethoxymethane 692.36
    ethylene carbonate 997.17
    cyrene 549.81
    2-ethoxyethyl acetate 1569.74
    2-ethylhexyl acetate 1347.12
    1,2,4-trichlorobenzene 1258.64
    4-methylpyridine 1356.16
    dibutyl ether 1114.43
    2,6-dimethyl-4-heptanol 328.38
    DEF 1714.72
    dimethyl isosorbide 1309.99
    tetrachloroethylene 1990.74
    eugenol 584.71
    triacetin 1346.92
    span 80 583.31
    1,4-butanediol 61.7
    1,1-dichloroethane 2028.58
    2-methyl-1-pentanol 360.05
    methyl formate 202.57
    2-methyl-1-butanol 440.81
    n-decane 96.36
    butyronitrile 612.28
    3,7-dimethyl-1-octanol 397.59
    1-chlorooctane 482.06
    1-chlorotetradecane 142.89
    n-nonane 97.76
    undecane 55.64
    tert-butylcyclohexane 179.42
    cyclooctane 200.77
    cyclopentanol 748.61
    tetrahydropyran 2260.54
    tert-amyl methyl ether 1076.2
    2,5,8-trioxanonane 981.91
    1-hexene 421.57
    2-isopropoxyethanol 469.48
    2,2,2-trifluoroethanol 129.06
    methyl butyrate 1806.56

    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