Butyl Benzoate

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  • Identifiers

    CAS number
    136-60-7

    Molecular formula
    C11H14O2

    SMILES
    CCCCOC(=O)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1367.5
    • Carbowax: 1840.33

  • Odor profile

    Fruity 79.76%
    Balsamic 76.19%
    Floral 68.66%
    Sweet 67.04%
    Herbal 52.88%
    Green 49.14%
    Woody 38.72%
    Cherry 35.83%
    Spicy 35.74%
    Anisic 32.93%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -22 °C

    Boiling point

    • 250 °C

    Flash point est.
    103.77 ˚C

    Flash point expt.

    • 225 °F (107 °C) (OPEN CUP)

    Solubility expt.

    • PRACTICALLY INSOL IN WATER
    • SOL IN ALCOHOL, ETHER AND ACETONE
    • MISCIBLE WITH OILS AND HYDROCARBONS
    • Water solubility of 59 mg/l.

  • Synonyms

    • BUTYL BENZOATE
    • 136-60-7
    • n-Butyl benzoate
    • Benzoic acid, butyl ester
    • Anthrapole AZ
    • Benzoic Acid Butyl Ester
    • Dai Cari XBN
    • Benzoic acid n-butyl ester
    • Butylester kyseliny benzoove
    • NSC 8474
    • HSDB 2089
    • UNII-1TGZ0D0O8I
    • Butyl ester of benzoic acid
    • Butylester kyseliny benzoove [Czech]
    • EINECS 205-252-7
    • 1TGZ0D0O8I
    • Hipochem B-3-M
    • Marvanol Carrier BB
    • BRN 1867073
    • DTXSID8040694
    • AI3-00521
    • NSC-8474
    • BUTYL BENZOATE [HSDB]
    • N-BUTYL BENZOATE [MI]
    • DTXCID6020694
    • CHEBI:156070
    • 4-09-00-00290 (Beilstein Handbook Reference)
    • MFCD00009439
    • nButyl benzoate
    • n_butyl benzoate
    • 4-butyl benzoate
    • Benzoic acid n-butyl ester; Butyl benzoate; Chemcryl C 101N; IP Carrier N 20; NSC 8474; n-Butyl benzoate
    • Butyl benzoate, 99%
    • benzoic acid-butyl ester
    • Benzoic acid nbutyl ester
    • benzoic acid n_butyl ester
    • Butyl benzoate, >=98%
    • WLN: 4OVR
    • SCHEMBL97514
    • BUTYL BENZOATE [INCI]
    • CHEMBL1868953
    • NSC8474
    • Butyl benzoate, analytical standard
    • AAA13660
    • Tox21_300510
    • STL453779
    • AKOS009028883
    • HY-W016599
    • NCGC00163973-01
    • NCGC00163973-02
    • NCGC00254500-01
    • CAS-136-60-7
    • LS-13962
    • B0066
    • NS00012027
    • EN300-19222
    • F71163
    • Q818506
    • F8880-4634
    • Z104473208
    • 205-252-7

  • Applications

    Butyl Benzoate (CAS 136-60-7) is used as a high-boiling solvent and secondary plasticizer for cellulose derivatives, nitrocellulose, alkyd/acrylic resins and PVC in coatings, inks, varnishes, adhesives and sealants to enhance resin solvency, flow/leveling and gloss while moderating evaporation; in the fragrance and personal-care sector it serves as a fragrance ingredient, fixative and solvent/carrier for perfumes, deodorants, detergents and fabric softeners, and as an emollient and spreading aid to improve sensorial feel in creams, lotions and hair-care products; it functions as a carrier/solvent in agrochemical and household formulations to dissolve actives and soften solvent odor; it supports textile printing and finishing through dye/resin solvation; it can act as a co-solvent/coalescent in waterborne paints to promote film formation; dosage, polymer compatibility and regulatory suitability should be validated for each formulation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4306.52
    methanol 4900.04
    isopropanol 2457.01
    water 0.65
    ethyl acetate 3514.28
    n-propanol 3120.78
    acetone 6029.55
    n-butanol 3113.41
    acetonitrile 5408.49
    DMF 7816.11
    toluene 1342.3
    isobutanol 2463.52
    1,4-dioxane 3287.05
    methyl acetate 2977.79
    THF 2907.39
    2-butanone 3918.86
    n-pentanol 1531.29
    sec-butanol 2442.93
    n-hexane 253.23
    ethylene glycol 349.72
    NMP 3468.61
    cyclohexane 477.38
    DMSO 4083.43
    n-butyl acetate 2621.26
    n-octanol 752.2
    chloroform 7349.52
    n-propyl acetate 2005.07
    acetic acid 3394.81
    dichloromethane 7861.53
    cyclohexanone 4748.45
    propylene glycol 538.27
    isopropyl acetate 1651.88
    DMAc 4048.88
    2-ethoxyethanol 1573.28
    isopentanol 2135.61
    n-heptane 104.72
    ethyl formate 2253.22
    1,2-dichloroethane 6397.79
    n-hexanol 1641.61
    2-methoxyethanol 3234.83
    isobutyl acetate 1008.68
    tetrachloromethane 503.99
    n-pentyl acetate 1167.82
    transcutol 5679.76
    n-heptanol 612.98
    ethylbenzene 764.67
    MIBK 1334.77
    2-propoxyethanol 1933.92
    tert-butanol 2235.56
    MTBE 1992.13
    2-butoxyethanol 962.51
    propionic acid 2136.87
    o-xylene 647.48
    formic acid 739.88
    diethyl ether 3117.46
    m-xylene 677.24
    p-xylene 890.09
    chlorobenzene 2785.34
    dimethyl carbonate 909.93
    n-octane 61.8
    formamide 1710.31
    cyclopentanone 3857.23
    2-pentanone 3213.86
    anisole 1639.27
    cyclopentyl methyl ether 1591.9
    gamma-butyrolactone 3697.87
    1-methoxy-2-propanol 2059.37
    pyridine 5075.98
    3-pentanone 2109.58
    furfural 3361.86
    n-dodecane 59.75
    diethylene glycol 1073.38
    diisopropyl ether 559.62
    tert-amyl alcohol 1947.28
    acetylacetone 2570.44
    n-hexadecane 69.74
    acetophenone 1480.8
    methyl propionate 2452.16
    isopentyl acetate 1900.2
    trichloroethylene 10563.61
    n-nonanol 601.14
    cyclohexanol 2069.2
    benzyl alcohol 1201.22
    2-ethylhexanol 820.07
    isooctanol 495.48
    dipropyl ether 892.06
    1,2-dichlorobenzene 2118.49
    ethyl lactate 607.96
    propylene carbonate 2200.27
    n-methylformamide 3321.63
    2-pentanol 1755.28
    n-pentane 211.82
    1-propoxy-2-propanol 1325.73
    1-methoxy-2-propyl acetate 1337.88
    2-(2-methoxypropoxy) propanol 844.33
    mesitylene 378.94
    ε-caprolactone 3139.9
    p-cymene 309.68
    epichlorohydrin 5081.44
    1,1,1-trichloroethane 3787.05
    2-aminoethanol 1041.7
    morpholine-4-carbaldehyde 2711.12
    sulfolane 3139.42
    2,2,4-trimethylpentane 96.22
    2-methyltetrahydrofuran 2400.21
    n-hexyl acetate 1636.68
    isooctane 80.0
    2-(2-butoxyethoxy)ethanol 1393.9
    sec-butyl acetate 1123.49
    tert-butyl acetate 1339.07
    decalin 184.56
    glycerin 569.18
    diglyme 2689.4
    acrylic acid 1861.96
    isopropyl myristate 514.04
    n-butyric acid 3621.55
    acetyl acetate 1672.5
    di(2-ethylhexyl) phthalate 356.11
    ethyl propionate 1568.11
    nitromethane 6071.36
    1,2-diethoxyethane 2044.58
    benzonitrile 2431.94
    trioctyl phosphate 293.03
    1-bromopropane 3122.03
    gamma-valerolactone 4083.51
    n-decanol 410.4
    triethyl phosphate 410.64
    4-methyl-2-pentanol 679.79
    propionitrile 3629.54
    vinylene carbonate 2346.18
    1,1,2-trichlorotrifluoroethane 2486.62
    DMS 1124.52
    cumene 428.27
    2-octanol 491.29
    2-hexanone 1965.14
    octyl acetate 675.86
    limonene 494.3
    1,2-dimethoxyethane 3101.34
    ethyl orthosilicate 380.16
    tributyl phosphate 428.83
    diacetone alcohol 1283.19
    N,N-dimethylaniline 848.89
    acrylonitrile 4676.26
    aniline 1783.76
    1,3-propanediol 1759.48
    bromobenzene 2839.05
    dibromomethane 4933.69
    1,1,2,2-tetrachloroethane 7221.66
    2-methyl-cyclohexyl acetate 715.28
    tetrabutyl urea 575.8
    diisobutyl methanol 396.53
    2-phenylethanol 1073.06
    styrene 1257.14
    dioctyl adipate 649.42
    dimethyl sulfate 1055.28
    ethyl butyrate 1401.02
    methyl lactate 765.88
    butyl lactate 771.86
    diethyl carbonate 883.52
    propanediol butyl ether 973.7
    triethyl orthoformate 682.45
    p-tert-butyltoluene 281.25
    methyl 4-tert-butylbenzoate 761.47
    morpholine 4207.67
    tert-butylamine 1420.08
    n-dodecanol 300.84
    dimethoxymethane 2703.67
    ethylene carbonate 1928.05
    cyrene 606.99
    2-ethoxyethyl acetate 1411.69
    2-ethylhexyl acetate 1313.79
    1,2,4-trichlorobenzene 2104.47
    4-methylpyridine 4723.45
    dibutyl ether 1095.58
    2,6-dimethyl-4-heptanol 396.53
    DEF 4053.67
    dimethyl isosorbide 1126.21
    tetrachloroethylene 4007.03
    eugenol 840.8
    triacetin 984.28
    span 80 745.93
    1,4-butanediol 525.98
    1,1-dichloroethane 5788.24
    2-methyl-1-pentanol 1344.09
    methyl formate 2208.79
    2-methyl-1-butanol 2293.14
    n-decane 101.1
    butyronitrile 4012.95
    3,7-dimethyl-1-octanol 703.56
    1-chlorooctane 568.95
    1-chlorotetradecane 191.63
    n-nonane 98.14
    undecane 74.77
    tert-butylcyclohexane 149.85
    cyclooctane 104.2
    cyclopentanol 1595.01
    tetrahydropyran 3944.64
    tert-amyl methyl ether 1284.49
    2,5,8-trioxanonane 1502.79
    1-hexene 1245.87
    2-isopropoxyethanol 1015.43
    2,2,2-trifluoroethanol 735.89
    methyl butyrate 2523.82

    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
Easter Lily, Picked Flower Headspace A Lilium candidum L., fam. Liliaceae 2.1%
Easter Lily, Picked Flower Headspace B Lilium candidum L., fam. Liliaceae 3.8%
Empleurum fragrans Empleurum fragrans Glover, fam. Diosmeae 0.2%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.04%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 6.0%
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.1%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.4%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Cinnamomum aureofulvum leaf Cinnamomum aureofulvum Gamb., fam. Lauraceae 0.1%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 2.5%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%