Octadecanoic acid, phenyl ester

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  • Identifiers

    CAS number
    637-55-8

    Molecular formula
    C24H40O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 77.81%
    Fatty 62.45%
    Oily 48.72%
    Balsamic 34.53%
    Sweet 33.77%
    Floral 27.89%
    Odorless 27.47%
    Creamy 24.58%
    Dairy 20.48%
    Animal 20.0%

     

    Flavor
    Waxy 51.99%
    Fatty 48.42%
    Mild 38.99%
    Oily 37.99%
    Fat 30.04%
    Bland 29.29%
    Faint 28.59%
    Coconut 26.55%
    Creamy 26.04%
    Slightly waxy 24.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.1

    pKa est.
    7.96 (neutral)

    Molecular weight
    360.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    427°C

    Flash point

    • 195.69 ˚C est.

  • Synonyms

    • Phenyl stearate
    • Octadecanoic acid, phenyl ester
    • EINECS 211-291-0
    • NSC 57588
    • AI3-01770
    • DTXSID1060922
    • RefChem:167674
    • DTXCID6044062
    • 211-291-0
    • NUMNZKICGJJSHN-UHFFFAOYSA-N
    • 637-55-8
    • phenyl octadecanoate
    • Stearic Acid Phenyl Ester
    • Stearic acid, phenyl ester
    • MFCD00026663
    • NSC-57588
    • NCIOpen2_007662
    • SCHEMBL542592
    • orb2939561
    • SCHEMBL9776353
    • W59MKY735T
    • SCHEMBL11255409
    • NSC57588
    • AKOS024319321
    • HY-W127545
    • AS-87667
    • SY053340
    • DB-054539
    • CS-0185770
    • NS00035553
    • O0007
    • ST50410587
    • D91784
    • 637-55-8

  • Applications

    Octadecanoic acid, phenyl ester (CAS 637-55-8) is a waxy fatty ester commonly used in several real-world applications: as an emollient in cosmetics and personal care; as a lubricant and processing aid in polymer and plastics processing; as a wax additive in coatings and inks to improve slip and water resistance; as a wax-based component in household polishes and cleaning products; and as an intermediate or specialized additive in industrial manufacturing, particularly to modify surface properties with a wax-like character.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 205.46
    methanol 203.88
    isopropanol 249.79
    water 0.53
    ethyl acetate 1249.06
    n-propanol 266.35
    acetone 1181.6
    n-butanol 298.96
    acetonitrile 506.4
    DMF 1465.52
    toluene 412.76
    isobutanol 264.66
    1,4-dioxane 1035.42
    methyl acetate 884.33
    THF 2368.7
    2-butanone 1140.38
    n-pentanol 190.06
    sec-butanol 301.26
    n-hexane 100.32
    ethylene glycol 16.45
    NMP 2396.77
    cyclohexane 531.19
    DMSO 1402.02
    n-butyl acetate 994.24
    n-octanol 192.47
    chloroform 3140.17
    n-propyl acetate 1217.27
    acetic acid 399.75
    dichloromethane 4107.52
    cyclohexanone 2835.65
    propylene glycol 46.78
    isopropyl acetate 1033.23
    DMAc 2156.34
    2-ethoxyethanol 384.61
    isopentanol 337.3
    n-heptane 86.09
    ethyl formate 579.55
    1,2-dichloroethane 2803.59
    n-hexanol 159.8
    2-methoxyethanol 451.04
    isobutyl acetate 732.52
    tetrachloromethane 729.83
    n-pentyl acetate 1299.57
    transcutol 1496.07
    n-heptanol 181.97
    ethylbenzene 256.73
    MIBK 847.63
    2-propoxyethanol 355.49
    tert-butanol 388.42
    MTBE 723.65
    2-butoxyethanol 484.55
    propionic acid 445.45
    o-xylene 332.46
    formic acid 75.7
    diethyl ether 698.13
    m-xylene 279.84
    p-xylene 434.73
    chlorobenzene 925.92
    dimethyl carbonate 353.91
    n-octane 47.76
    formamide 235.57
    cyclopentanone 2808.45
    2-pentanone 1155.8
    anisole 599.99
    cyclopentyl methyl ether 1227.8
    gamma-butyrolactone 2596.82
    1-methoxy-2-propanol 455.44
    pyridine 1374.17
    3-pentanone 992.5
    furfural 1400.18
    n-dodecane 25.14
    diethylene glycol 130.69
    diisopropyl ether 290.68
    tert-amyl alcohol 408.63
    acetylacetone 1475.98
    n-hexadecane 31.48
    acetophenone 782.64
    methyl propionate 870.48
    isopentyl acetate 894.2
    trichloroethylene 3819.03
    n-nonanol 191.69
    cyclohexanol 659.61
    benzyl alcohol 310.25
    2-ethylhexanol 197.4
    isooctanol 201.8
    dipropyl ether 571.37
    1,2-dichlorobenzene 1063.32
    ethyl lactate 335.6
    propylene carbonate 1466.94
    n-methylformamide 526.66
    2-pentanol 249.09
    n-pentane 74.42
    1-propoxy-2-propanol 411.13
    1-methoxy-2-propyl acetate 786.43
    2-(2-methoxypropoxy) propanol 355.85
    mesitylene 212.25
    ε-caprolactone 2264.15
    p-cymene 181.57
    epichlorohydrin 2597.46
    1,1,1-trichloroethane 2647.62
    2-aminoethanol 69.37
    morpholine-4-carbaldehyde 1453.63
    sulfolane 3367.76
    2,2,4-trimethylpentane 61.18
    2-methyltetrahydrofuran 1785.56
    n-hexyl acetate 1022.98
    isooctane 33.41
    2-(2-butoxyethoxy)ethanol 501.5
    sec-butyl acetate 851.91
    tert-butyl acetate 1151.28
    decalin 130.37
    glycerin 69.85
    diglyme 1463.53
    acrylic acid 300.24
    isopropyl myristate 318.08
    n-butyric acid 926.28
    acetyl acetate 826.33
    di(2-ethylhexyl) phthalate 223.96
    ethyl propionate 1023.52
    nitromethane 1230.19
    1,2-diethoxyethane 982.99
    benzonitrile 559.91
    trioctyl phosphate 177.82
    1-bromopropane 1382.84
    gamma-valerolactone 2866.35
    n-decanol 121.19
    triethyl phosphate 415.94
    4-methyl-2-pentanol 173.7
    propionitrile 511.02
    vinylene carbonate 1121.24
    1,1,2-trichlorotrifluoroethane 1236.07
    DMS 687.39
    cumene 179.82
    2-octanol 189.03
    2-hexanone 918.18
    octyl acetate 395.23
    limonene 353.88
    1,2-dimethoxyethane 1242.15
    ethyl orthosilicate 401.01
    tributyl phosphate 267.3
    diacetone alcohol 784.02
    N,N-dimethylaniline 377.28
    acrylonitrile 491.3
    aniline 424.47
    1,3-propanediol 156.69
    bromobenzene 1110.66
    dibromomethane 2426.27
    1,1,2,2-tetrachloroethane 3441.55
    2-methyl-cyclohexyl acetate 635.35
    tetrabutyl urea 404.73
    diisobutyl methanol 160.61
    2-phenylethanol 246.59
    styrene 343.71
    dioctyl adipate 508.94
    dimethyl sulfate 728.4
    ethyl butyrate 968.8
    methyl lactate 283.9
    butyl lactate 602.99
    diethyl carbonate 559.24
    propanediol butyl ether 316.83
    triethyl orthoformate 646.84
    p-tert-butyltoluene 163.18
    methyl 4-tert-butylbenzoate 676.18
    morpholine 1361.46
    tert-butylamine 266.53
    n-dodecanol 87.47
    dimethoxymethane 799.0
    ethylene carbonate 1131.47
    cyrene 416.01
    2-ethoxyethyl acetate 1189.46
    2-ethylhexyl acetate 782.05
    1,2,4-trichlorobenzene 1176.85
    4-methylpyridine 1250.29
    dibutyl ether 658.55
    2,6-dimethyl-4-heptanol 160.61
    DEF 1496.92
    dimethyl isosorbide 892.26
    tetrachloroethylene 2128.35
    eugenol 463.72
    triacetin 964.9
    span 80 367.81
    1,4-butanediol 67.22
    1,1-dichloroethane 2232.63
    2-methyl-1-pentanol 227.85
    methyl formate 390.7
    2-methyl-1-butanol 316.92
    n-decane 58.41
    butyronitrile 607.58
    3,7-dimethyl-1-octanol 206.48
    1-chlorooctane 309.8
    1-chlorotetradecane 88.23
    n-nonane 59.58
    undecane 35.42
    tert-butylcyclohexane 87.12
    cyclooctane 107.9
    cyclopentanol 641.88
    tetrahydropyran 1718.64
    tert-amyl methyl ether 621.16
    2,5,8-trioxanonane 696.74
    1-hexene 264.4
    2-isopropoxyethanol 347.81
    2,2,2-trifluoroethanol 244.15
    methyl butyrate 1446.16

    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