Benzyl butyrate

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  • Identifiers

    CAS number
    103-37-7

    Molecular formula
    C11H14O2

    SMILES
    CCCC(=O)OCC1=CC=CC=C1

    Retention indicies (RI)

    • DB5: 1346.5
    • Carbowax: 1852.0

  • Odor profile

    Fruity 97.38%
    Sweet 80.25%
    Floral 78.81%
    Pineapple 58.19%
    Apple 57.8%
    Tropical 54.75%
    Apricot 54.41%
    Plum 47.4%
    Rose 46.19%
    Berry 43.87%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.15 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 21.00 °C. @ 760.00 mm Hg

    Boiling point

    • 238.00 to 240.00 °C. @ 760.00 mm Hg

    Flash point est.
    108.56 ˚C

    Solubility expt.

    • insoluble in water, glycols, glycerol; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Benzyl butyrate
    • 103-37-7
    • Benzyl butanoate
    • Benzyl n-butyrate
    • Phenylmethyl butanoate
    • Butanoic acid, phenylmethyl ester
    • Benzyl n-butanoate
    • Butyric acid, benzyl ester
    • Phenylmethyl butyrate
    • Benzyl butyrate (natural)
    • Benzylester kyseliny maselne
    • FEMA No. 2140
    • BENZYLBUTYRATE
    • NSC 8073
    • BENZYL-N-BUTYRATE
    • Butyric Acid Benzyl Ester
    • Butanoic acid, benzyl ester
    • n-Butyric acid benzyl ester
    • Benzylester kyseliny maselne [Czech]
    • EINECS 203-105-1
    • UNII-84L0NDE31F
    • BRN 2047625
    • 84L0NDE31F
    • DTXSID7047510
    • AI3-06120
    • NSC-8073
    • BENZYL BUTYRATE [FCC]
    • BENZYL BUTYRATE [FHFI]
    • DTXCID5027510
    • FEMA 2140
    • benzyl butanate
    • Aldehyde C-19
    • Benzyl butanoic acid
    • MFCD00027133
    • Phenylmethyl butanoic acid
    • WLN: 3VO1R
    • SCHEMBL19960
    • CHEMBL3183179
    • NSC8073
    • CHEBI:173824
    • Tox21_300891
    • AKOS015915631
    • Benzyl butyrate, >=98%, FCC, FG
    • Benzyl butyrate, natural, >=98%, FCC
    • NCGC00248204-01
    • NCGC00254795-01
    • AS-56642
    • CAS-103-37-7
    • DB-040444
    • B0756
    • CS-0199272
    • NS00012001
    • F71210
    • Q27269535
    • 203-105-1

  • Applications

    Benzyl butyrate (CAS 103-37-7) is a naturally occurring aromatic ester found in jasmine oil and various fruits, and its peach-apricot bouquet underpins multiple uses: in perfumery and fragrance formulation it acts as a rounder and sweet “juicy” modifier for fine perfumes, soaps, detergents and scented candles; in food and beverage manufacturing it serves as a fruit-flavor additive for candies, baked goods and soft drinks thanks to its low-dose safety; in pharmaceuticals and cosmetics it functions as an essential oil solvent and odor carrier in creams while exhibiting acaricidal and pediculicidal activity, making it useful in topical scabies treatments; additionally, the compound is employed as a mild plasticizer for cellulose nitrate, an auxiliary in lacquers and printing inks, and a reference standard in studies of fruit aroma biogenesis and analytical method development.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1736.77
    methanol 2442.81
    isopropanol 939.97
    water 0.98
    ethyl acetate 1529.86
    n-propanol 1101.7
    acetone 2420.26
    n-butanol 1035.92
    acetonitrile 2326.62
    DMF 2459.82
    toluene 412.38
    isobutanol 833.18
    1,4-dioxane 1822.23
    methyl acetate 1171.61
    THF 1377.31
    2-butanone 1417.34
    n-pentanol 717.27
    sec-butanol 775.87
    n-hexane 102.91
    ethylene glycol 204.49
    NMP 1128.18
    cyclohexane 132.69
    DMSO 2140.58
    n-butyl acetate 1116.11
    n-octanol 298.18
    chloroform 3750.62
    n-propyl acetate 966.38
    acetic acid 1928.96
    dichloromethane 3456.5
    cyclohexanone 1594.62
    propylene glycol 287.05
    isopropyl acetate 745.62
    DMAc 1539.79
    2-ethoxyethanol 895.9
    isopentanol 853.49
    n-heptane 38.04
    ethyl formate 882.64
    1,2-dichloroethane 2446.55
    n-hexanol 654.78
    2-methoxyethanol 1376.02
    isobutyl acetate 536.85
    tetrachloromethane 211.63
    n-pentyl acetate 441.16
    transcutol 3716.48
    n-heptanol 243.49
    ethylbenzene 325.11
    MIBK 578.31
    2-propoxyethanol 909.81
    tert-butanol 1087.3
    MTBE 967.0
    2-butoxyethanol 467.58
    propionic acid 943.17
    o-xylene 245.93
    formic acid 479.44
    diethyl ether 1322.29
    m-xylene 248.39
    p-xylene 405.53
    chlorobenzene 953.3
    dimethyl carbonate 377.99
    n-octane 21.58
    formamide 887.64
    cyclopentanone 1509.7
    2-pentanone 1108.71
    anisole 774.61
    cyclopentyl methyl ether 678.0
    gamma-butyrolactone 1582.0
    1-methoxy-2-propanol 870.0
    pyridine 1810.24
    3-pentanone 751.41
    furfural 1393.92
    n-dodecane 23.68
    diethylene glycol 639.33
    diisopropyl ether 254.01
    tert-amyl alcohol 843.87
    acetylacetone 1140.37
    n-hexadecane 27.56
    acetophenone 695.0
    methyl propionate 881.1
    isopentyl acetate 830.31
    trichloroethylene 4054.64
    n-nonanol 247.91
    cyclohexanol 671.44
    benzyl alcohol 568.8
    2-ethylhexanol 363.3
    isooctanol 216.86
    dipropyl ether 412.55
    1,2-dichlorobenzene 831.62
    ethyl lactate 318.05
    propylene carbonate 924.65
    n-methylformamide 1117.94
    2-pentanol 595.26
    n-pentane 57.83
    1-propoxy-2-propanol 616.19
    1-methoxy-2-propyl acetate 690.54
    2-(2-methoxypropoxy) propanol 529.69
    mesitylene 159.88
    ε-caprolactone 1194.95
    p-cymene 145.04
    epichlorohydrin 2063.46
    1,1,1-trichloroethane 1495.06
    2-aminoethanol 501.12
    morpholine-4-carbaldehyde 1265.24
    sulfolane 1461.95
    2,2,4-trimethylpentane 42.05
    2-methyltetrahydrofuran 1039.81
    n-hexyl acetate 669.97
    isooctane 32.6
    2-(2-butoxyethoxy)ethanol 780.95
    sec-butyl acetate 555.8
    tert-butyl acetate 687.5
    decalin 77.28
    glycerin 361.39
    diglyme 1472.63
    acrylic acid 857.12
    isopropyl myristate 222.12
    n-butyric acid 1485.06
    acetyl acetate 847.61
    di(2-ethylhexyl) phthalate 205.75
    ethyl propionate 702.3
    nitromethane 2998.5
    1,2-diethoxyethane 1055.0
    benzonitrile 877.72
    trioctyl phosphate 144.75
    1-bromopropane 1077.74
    gamma-valerolactone 1669.18
    n-decanol 177.03
    triethyl phosphate 230.99
    4-methyl-2-pentanol 314.03
    propionitrile 1244.07
    vinylene carbonate 967.4
    1,1,2-trichlorotrifluoroethane 1195.87
    DMS 562.28
    cumene 200.72
    2-octanol 183.86
    2-hexanone 926.45
    octyl acetate 284.23
    limonene 213.76
    1,2-dimethoxyethane 1642.17
    ethyl orthosilicate 218.01
    tributyl phosphate 216.94
    diacetone alcohol 658.16
    N,N-dimethylaniline 419.46
    acrylonitrile 1580.74
    aniline 638.27
    1,3-propanediol 760.43
    bromobenzene 982.09
    dibromomethane 2134.85
    1,1,2,2-tetrachloroethane 3145.08
    2-methyl-cyclohexyl acetate 391.48
    tetrabutyl urea 266.8
    diisobutyl methanol 197.23
    2-phenylethanol 475.86
    styrene 511.98
    dioctyl adipate 334.87
    dimethyl sulfate 509.38
    ethyl butyrate 630.0
    methyl lactate 345.72
    butyl lactate 353.78
    diethyl carbonate 436.51
    propanediol butyl ether 489.39
    triethyl orthoformate 352.98
    p-tert-butyltoluene 131.77
    methyl 4-tert-butylbenzoate 405.69
    morpholine 1959.54
    tert-butylamine 654.64
    n-dodecanol 131.02
    dimethoxymethane 1054.48
    ethylene carbonate 799.02
    cyrene 378.99
    2-ethoxyethyl acetate 632.82
    2-ethylhexyl acetate 584.96
    1,2,4-trichlorobenzene 855.13
    4-methylpyridine 1521.27
    dibutyl ether 461.06
    2,6-dimethyl-4-heptanol 197.23
    DEF 1298.3
    dimethyl isosorbide 695.71
    tetrachloroethylene 1773.21
    eugenol 466.32
    triacetin 561.71
    span 80 413.8
    1,4-butanediol 304.94
    1,1-dichloroethane 2095.8
    2-methyl-1-pentanol 646.21
    methyl formate 822.57
    2-methyl-1-butanol 773.63
    n-decane 37.32
    butyronitrile 1308.33
    3,7-dimethyl-1-octanol 302.49
    1-chlorooctane 208.26
    1-chlorotetradecane 78.67
    n-nonane 34.01
    undecane 29.09
    tert-butylcyclohexane 72.64
    cyclooctane 30.28
    cyclopentanol 534.52
    tetrahydropyran 1576.3
    tert-amyl methyl ether 582.59
    2,5,8-trioxanonane 933.57
    1-hexene 560.86
    2-isopropoxyethanol 620.2
    2,2,2-trifluoroethanol 431.3
    methyl butyrate 1109.58

    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
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.17%
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 4.1%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.04%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 0.7%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 0.12%
Parsnip (USA) fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.1%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.3%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%