Octyl benzoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    94-50-8

    Molecular formula
    C15H22O2

    SMILES
    CCCCCCCCOC(=O)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Balsamic 71.72%
    Floral 59.23%
    Herbal 55.92%
    Green 52.34%
    Oily 48.47%
    Sweet 48.35%
    Fruity 44.72%
    Fresh 39.98%
    Waxy 39.73%
    Fatty 37.1%

    Scent© AI

  • Properties

    XLogP3-AA
    5.7

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point est.
    140.63 ˚C

  • Synonyms

    • Octyl benzoate
    • 94-50-8
    • Benzoic acid, octyl ester
    • n-Octyl benzoate
    • Benzoic acid octyl ester
    • capryl benzoate
    • 1-octyl benzoate
    • 8JQ9R1SYRZ
    • N-OCTYL BENZOAT
    • EINECS 202-339-1
    • NSC 21846
    • NSC-21846
    • DENA PF 681
    • AI3-30501
    • OCTYL ALCOHOL, BENZOATE
    • octylbenzoate
    • DTXSID1059103
    • CHEBI:156236
    • BENZOIC ACID 1-OCTANYL ESTER
    • MFCD00995104
    • UNII-8JQ9R1SYRZ
    • SCHEMBL132523
    • CHEMBL118062
    • DTXCID2048901
    • NSC21846
    • AKOS015915108
    • AS-17243
    • SY040460
    • DB-119971
    • CS-0162958
    • NS00021404
    • S10798
    • Q27894190
    • 202-339-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8538.51
    methanol 9511.46
    isopropanol 5620.14
    water 0.15
    ethyl acetate 10059.91
    n-propanol 6761.93
    acetone 15723.12
    n-butanol 5383.06
    acetonitrile 12029.13
    DMF 11991.44
    toluene 3320.48
    isobutanol 4646.91
    1,4-dioxane 6376.76
    methyl acetate 6793.54
    THF 6726.54
    2-butanone 9959.25
    n-pentanol 2821.58
    sec-butanol 4485.63
    n-hexane 539.07
    ethylene glycol 329.51
    NMP 5897.4
    cyclohexane 1157.37
    DMSO 9565.9
    n-butyl acetate 5306.96
    n-octanol 906.27
    chloroform 12732.96
    n-propyl acetate 5344.15
    acetic acid 3783.15
    dichloromethane 17212.89
    cyclohexanone 11897.76
    propylene glycol 677.77
    isopropyl acetate 4727.64
    DMAc 6011.51
    2-ethoxyethanol 3001.01
    isopentanol 3851.78
    n-heptane 190.99
    ethyl formate 4450.34
    1,2-dichloroethane 15021.78
    n-hexanol 2432.29
    2-methoxyethanol 5493.42
    isobutyl acetate 2429.76
    tetrachloromethane 1321.67
    n-pentyl acetate 2740.24
    transcutol 9472.13
    n-heptanol 885.36
    ethylbenzene 1405.48
    MIBK 3224.24
    2-propoxyethanol 3157.25
    tert-butanol 4365.35
    MTBE 5971.65
    2-butoxyethanol 1728.82
    propionic acid 3535.18
    o-xylene 1392.83
    formic acid 666.53
    diethyl ether 8700.85
    m-xylene 1488.96
    p-xylene 1652.57
    chlorobenzene 4929.19
    dimethyl carbonate 1640.32
    n-octane 91.34
    formamide 2037.65
    cyclopentanone 8896.15
    2-pentanone 9018.03
    anisole 2727.32
    cyclopentyl methyl ether 4631.09
    gamma-butyrolactone 8000.0
    1-methoxy-2-propanol 3840.53
    pyridine 9622.99
    3-pentanone 5390.32
    furfural 5358.96
    n-dodecane 65.87
    diethylene glycol 1397.82
    diisopropyl ether 1525.94
    tert-amyl alcohol 3445.73
    acetylacetone 5935.49
    n-hexadecane 81.21
    acetophenone 2580.45
    methyl propionate 5880.62
    isopentyl acetate 3779.15
    trichloroethylene 19126.74
    n-nonanol 756.65
    cyclohexanol 4218.95
    benzyl alcohol 1832.28
    2-ethylhexanol 1315.17
    isooctanol 763.13
    dipropyl ether 2234.33
    1,2-dichlorobenzene 3621.86
    ethyl lactate 1082.25
    propylene carbonate 4072.48
    n-methylformamide 5897.64
    2-pentanol 3392.65
    n-pentane 437.72
    1-propoxy-2-propanol 2382.58
    1-methoxy-2-propyl acetate 2873.87
    2-(2-methoxypropoxy) propanol 1157.59
    mesitylene 809.41
    ε-caprolactone 7560.74
    p-cymene 526.55
    epichlorohydrin 11038.18
    1,1,1-trichloroethane 8983.35
    2-aminoethanol 1413.19
    morpholine-4-carbaldehyde 4701.49
    sulfolane 7147.75
    2,2,4-trimethylpentane 175.92
    2-methyltetrahydrofuran 6640.17
    n-hexyl acetate 2917.88
    isooctane 138.32
    2-(2-butoxyethoxy)ethanol 1974.69
    sec-butyl acetate 2842.51
    tert-butyl acetate 3520.23
    decalin 325.26
    glycerin 624.09
    diglyme 4387.76
    acrylic acid 2239.81
    isopropyl myristate 786.94
    n-butyric acid 6958.63
    acetyl acetate 3468.27
    di(2-ethylhexyl) phthalate 527.58
    ethyl propionate 4100.17
    nitromethane 9705.15
    1,2-diethoxyethane 4653.31
    benzonitrile 3645.89
    trioctyl phosphate 416.47
    1-bromopropane 8287.33
    gamma-valerolactone 9126.96
    n-decanol 494.15
    triethyl phosphate 724.62
    4-methyl-2-pentanol 1230.06
    propionitrile 7904.35
    vinylene carbonate 3603.83
    1,1,2-trichlorotrifluoroethane 4302.65
    DMS 1934.17
    cumene 690.77
    2-octanol 685.17
    2-hexanone 4809.25
    octyl acetate 1040.93
    limonene 940.86
    1,2-dimethoxyethane 5807.47
    ethyl orthosilicate 695.92
    tributyl phosphate 623.46
    diacetone alcohol 2563.35
    N,N-dimethylaniline 1315.93
    acrylonitrile 8223.43
    aniline 3415.86
    1,3-propanediol 2402.76
    bromobenzene 5407.95
    dibromomethane 10949.84
    1,1,2,2-tetrachloroethane 13997.96
    2-methyl-cyclohexyl acetate 1383.7
    tetrabutyl urea 866.51
    diisobutyl methanol 629.35
    2-phenylethanol 1501.98
    styrene 2376.8
    dioctyl adipate 994.24
    dimethyl sulfate 1988.07
    ethyl butyrate 2865.33
    methyl lactate 1387.75
    butyl lactate 1488.17
    diethyl carbonate 1563.05
    propanediol butyl ether 1308.94
    triethyl orthoformate 1352.2
    p-tert-butyltoluene 459.61
    methyl 4-tert-butylbenzoate 1202.21
    morpholine 9479.85
    tert-butylamine 2729.89
    n-dodecanol 347.07
    dimethoxymethane 5608.4
    ethylene carbonate 3378.87
    cyrene 940.51
    2-ethoxyethyl acetate 3087.8
    2-ethylhexyl acetate 2684.71
    1,2,4-trichlorobenzene 3763.49
    4-methylpyridine 9174.64
    dibutyl ether 2208.12
    2,6-dimethyl-4-heptanol 629.35
    DEF 8710.73
    dimethyl isosorbide 1848.79
    tetrachloroethylene 7805.87
    eugenol 1212.91
    triacetin 1822.82
    span 80 1032.33
    1,4-butanediol 790.26
    1,1-dichloroethane 13562.13
    2-methyl-1-pentanol 2234.54
    methyl formate 3431.14
    2-methyl-1-butanol 3937.71
    n-decane 127.07
    butyronitrile 8517.12
    3,7-dimethyl-1-octanol 933.74
    1-chlorooctane 889.24
    1-chlorotetradecane 249.68
    n-nonane 129.35
    undecane 85.93
    tert-butylcyclohexane 253.41
    cyclooctane 214.94
    cyclopentanol 3396.78
    tetrahydropyran 10300.65
    tert-amyl methyl ether 3120.36
    2,5,8-trioxanonane 2206.58
    1-hexene 2931.02
    2-isopropoxyethanol 1993.8
    2,2,2-trifluoroethanol 876.23
    methyl butyrate 6505.96

    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
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 0.2%