Isoamyl stearate

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  • Identifiers

    CAS number
    627-88-3

    Molecular formula
    C23H46O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 76.98%
    Fatty 69.85%
    Oily 60.77%
    Odorless 32.48%
    Creamy 31.11%
    Sweet 26.94%
    Dairy 23.87%
    Fruity 22.3%
    Milky 21.5%
    Soapy 20.89%

     

    Flavor
    Waxy 60.43%
    Oily 50.86%
    Fatty 48.78%
    Mild 44.6%
    Soapy 34.67%
    Fat 34.06%
    Bland 32.6%
    Coconut 32.41%
    Faint 30.93%
    Creamy 28.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.2

    pKa est.
    7.39 (neutral)

    Molecular weight
    354.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 175.4 ˚C est.

  • Synonyms

    • Isopentyl stearate
    • isoamyl stearate
    • 627-88-3
    • 3-methylbutyl stearate
    • Octadecanoic acid, 3-methylbutyl ester
    • 0OF33FPU9G
    • OXISMOOTH ST
    • EINECS 211-015-9
    • DTXSID20211772
    • ISOPENTYL ALCOHOL, STEARATE
    • RefChem:791560
    • ISOAMYL STEARATE [INCI]
    • DTXCID50134263
    • 211-015-9
    • 3-methylbutyl octadecanoate
    • 3-Methyl-2-butenyl octadecanoate
    • WE(4:1(2)(3Me)/18:0)
    • UNII-0OF33FPU9G
    • SCHEMBL37144
    • LMFA07010577
    • NS00022567
    • Q27237037
    • 627-88-3

  • Applications

    Isoamyl stearate (CAS 627-88-3) is a long-chain fatty ester used as an emollient and solvent in cosmetics and personal care, serving as a vehicle for fragrance formulations and helping to deliver a smooth skin feel; it is commonly employed as a fragrance solvent and carrier in perfumery; in household products it acts as a slip agent and texture enhancer in creams, lotions, and cleaners; in coatings, inks and polymers it can function as a plasticizer or processing aid to improve flexibility and workability; and it is also used as an intermediate in industrial manufacturing for the synthesis of related esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.08
    methanol 63.62
    isopropanol 118.48
    water 0.06
    ethyl acetate 837.54
    n-propanol 120.78
    acetone 437.72
    n-butanol 176.99
    acetonitrile 160.61
    DMF 493.77
    toluene 345.29
    isobutanol 159.97
    1,4-dioxane 696.37
    methyl acetate 418.4
    THF 1680.92
    2-butanone 629.03
    n-pentanol 128.5
    sec-butanol 198.85
    n-hexane 111.72
    ethylene glycol 4.29
    NMP 1548.86
    cyclohexane 679.48
    DMSO 526.16
    n-butyl acetate 999.59
    n-octanol 226.22
    chloroform 2061.78
    n-propyl acetate 1007.46
    acetic acid 189.27
    dichloromethane 2170.41
    cyclohexanone 2316.04
    propylene glycol 18.36
    isopropyl acetate 866.4
    DMAc 1054.19
    2-ethoxyethanol 244.78
    isopentanol 271.15
    n-heptane 124.18
    ethyl formate 292.35
    1,2-dichloroethane 1424.61
    n-hexanol 141.62
    2-methoxyethanol 229.54
    isobutyl acetate 696.21
    tetrachloromethane 563.62
    n-pentyl acetate 1456.85
    transcutol 1610.45
    n-heptanol 187.18
    ethylbenzene 262.87
    MIBK 786.01
    2-propoxyethanol 289.67
    tert-butanol 269.03
    MTBE 607.09
    2-butoxyethanol 439.13
    propionic acid 207.48
    o-xylene 339.91
    formic acid 24.0
    diethyl ether 456.22
    m-xylene 278.09
    p-xylene 439.5
    chlorobenzene 688.89
    dimethyl carbonate 141.84
    n-octane 64.23
    formamide 59.48
    cyclopentanone 1882.49
    2-pentanone 786.87
    anisole 493.76
    cyclopentyl methyl ether 1177.05
    gamma-butyrolactone 1622.08
    1-methoxy-2-propanol 311.25
    pyridine 847.59
    3-pentanone 653.39
    furfural 962.17
    n-dodecane 30.66
    diethylene glycol 86.14
    diisopropyl ether 304.44
    tert-amyl alcohol 367.71
    acetylacetone 968.18
    n-hexadecane 40.13
    acetophenone 662.89
    methyl propionate 506.35
    isopentyl acetate 1030.29
    trichloroethylene 2336.97
    n-nonanol 235.49
    cyclohexanol 581.68
    benzyl alcohol 234.9
    2-ethylhexanol 242.0
    isooctanol 235.34
    dipropyl ether 595.81
    1,2-dichlorobenzene 875.25
    ethyl lactate 248.73
    propylene carbonate 965.06
    n-methylformamide 161.1
    2-pentanol 199.13
    n-pentane 73.23
    1-propoxy-2-propanol 421.87
    1-methoxy-2-propyl acetate 809.73
    2-(2-methoxypropoxy) propanol 398.19
    mesitylene 245.45
    ε-caprolactone 1898.79
    p-cymene 242.0
    epichlorohydrin 1648.02
    1,1,1-trichloroethane 1950.46
    2-aminoethanol 24.57
    morpholine-4-carbaldehyde 1028.96
    sulfolane 2335.58
    2,2,4-trimethylpentane 87.03
    2-methyltetrahydrofuran 1506.99
    n-hexyl acetate 1260.49
    isooctane 49.48
    2-(2-butoxyethoxy)ethanol 545.14
    sec-butyl acetate 871.41
    tert-butyl acetate 1178.36
    decalin 196.44
    glycerin 32.01
    diglyme 1427.36
    acrylic acid 121.19
    isopropyl myristate 400.93
    n-butyric acid 653.41
    acetyl acetate 542.6
    di(2-ethylhexyl) phthalate 254.26
    ethyl propionate 828.08
    nitromethane 502.43
    1,2-diethoxyethane 974.34
    benzonitrile 405.37
    trioctyl phosphate 203.82
    1-bromopropane 881.65
    gamma-valerolactone 2215.12
    n-decanol 146.99
    triethyl phosphate 445.85
    4-methyl-2-pentanol 175.48
    propionitrile 220.76
    vinylene carbonate 696.73
    1,1,2-trichlorotrifluoroethane 814.76
    DMS 522.75
    cumene 202.52
    2-octanol 225.49
    2-hexanone 776.82
    octyl acetate 463.31
    limonene 513.89
    1,2-dimethoxyethane 901.78
    ethyl orthosilicate 453.67
    tributyl phosphate 290.76
    diacetone alcohol 735.66
    N,N-dimethylaniline 363.75
    acrylonitrile 195.91
    aniline 297.63
    1,3-propanediol 74.53
    bromobenzene 875.46
    dibromomethane 1388.1
    1,1,2,2-tetrachloroethane 2301.47
    2-methyl-cyclohexyl acetate 801.95
    tetrabutyl urea 446.39
    diisobutyl methanol 218.99
    2-phenylethanol 233.62
    styrene 308.09
    dioctyl adipate 599.63
    dimethyl sulfate 351.38
    ethyl butyrate 1026.61
    methyl lactate 160.1
    butyl lactate 658.55
    diethyl carbonate 490.64
    propanediol butyl ether 303.48
    triethyl orthoformate 776.04
    p-tert-butyltoluene 223.09
    methyl 4-tert-butylbenzoate 749.86
    morpholine 909.02
    tert-butylamine 212.91
    n-dodecanol 102.2
    dimethoxymethane 356.48
    ethylene carbonate 713.55
    cyrene 417.94
    2-ethoxyethyl acetate 1157.75
    2-ethylhexyl acetate 926.5
    1,2,4-trichlorobenzene 1005.12
    4-methylpyridine 935.98
    dibutyl ether 828.92
    2,6-dimethyl-4-heptanol 218.99
    DEF 1013.48
    dimethyl isosorbide 1056.52
    tetrachloroethylene 1428.12
    eugenol 460.05
    triacetin 1061.83
    span 80 442.88
    1,4-butanediol 31.35
    1,1-dichloroethane 1287.99
    2-methyl-1-pentanol 206.38
    methyl formate 122.3
    2-methyl-1-butanol 239.08
    n-decane 81.24
    butyronitrile 337.76
    3,7-dimethyl-1-octanol 287.67
    1-chlorooctane 388.49
    1-chlorotetradecane 109.81
    n-nonane 81.34
    undecane 45.71
    tert-butylcyclohexane 130.88
    cyclooctane 163.3
    cyclopentanol 486.62
    tetrahydropyran 1387.12
    tert-amyl methyl ether 609.31
    2,5,8-trioxanonane 719.17
    1-hexene 244.77
    2-isopropoxyethanol 273.82
    2,2,2-trifluoroethanol 99.4
    methyl butyrate 1164.19

    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