Cinnamyl butyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    103-61-7

    Molecular formula
    C13H16O2

    SMILES
    CCCC(=O)OC/C=C/C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2247.0

  • Odor profile

    Fruity 87.98%
    Sweet 78.47%
    Balsamic 74.92%
    Floral 74.74%
    Spicy 63.2%
    Rose 52.41%
    Green 48.75%
    Apple 48.48%
    Cinnamon 47.5%
    Honey 46.43%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point est.
    139.84 ˚C

    Solubility expt.

    • insoluble in water
    • miscible (in ethanol)

  • Synonyms

    • Cinnamyl butyrate
    • 103-61-7
    • Cinnamyl butanoate
    • Cinnamyl n-butyrate
    • Phenylpropenyl n-butyrate
    • BUTYRIC ACID, CINNAMYL ESTER
    • 78761-39-4
    • 3-Phenylallyl butyrate
    • trans-Cinnamyl butyrate
    • butanoic acid 3-phenyl-2-propenyl ester
    • FEMA No. 2296
    • [(E)-3-phenylprop-2-enyl] butanoate
    • 3-Phenyl-2-propen-1-yl butanoate
    • Butynoic acid, 3-phenyl-2-propenyl ester
    • Butanoic acid, 3-phenyl-2-propenyl ester
    • 3-Phenyl-2-propenyl butanoate
    • Cinnamyl butyrate [FCC]
    • 3-Phenyl-2-propen-1-yl butyrate
    • Cinnamyl butyrate [FHFI]
    • EINECS 203-128-7
    • TKZ9V37P1G
    • NSC 30528
    • NSC-30528
    • BRN 3200585
    • AI3-02461
    • Butanoic acid, 3-phenyl-2-propen-1-yl ester
    • Butanoic acid, (2E)-3-phenyl-2-propenyl ester
    • Cinnamylbutyrate
    • ((E)-3-phenylprop-2-enyl) butanoate
    • UNII-TKZ9V37P1G
    • DTXSID2059277
    • 3-phenylprop-2-enyl butanoate
    • MFCD00027135
    • WLN: 3VO2U1R
    • SCHEMBL356660
    • DTXCID7032765
    • CHEBI:195938
    • DTXSID901313849
    • NSC30528
    • (2E)-3-Phenyl-2-propenyl butyrate #
    • trans-Cinnamyl butyrate, >=96%, FCC
    • (2E)-3-phenylprop-2-en-1-yl butanoate
    • AS-64094
    • trans-Cinnamyl butyrate, analytical standard
    • CS-0440073
    • NS00012095
    • butanoic acid 3-phenyl-prop-2-en-1-yl ester
    • Q27290010
    • 203-128-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 600.18
    methanol 760.18
    isopropanol 346.57
    water 0.21
    ethyl acetate 830.62
    n-propanol 428.92
    acetone 1541.08
    n-butanol 392.7
    acetonitrile 1018.03
    DMF 1632.88
    toluene 340.79
    isobutanol 301.63
    1,4-dioxane 939.18
    methyl acetate 703.8
    THF 1177.88
    2-butanone 915.97
    n-pentanol 360.16
    sec-butanol 329.96
    n-hexane 73.19
    ethylene glycol 90.74
    NMP 1062.76
    cyclohexane 74.3
    DMSO 2324.82
    n-butyl acetate 624.23
    n-octanol 143.43
    chloroform 2447.77
    n-propyl acetate 578.96
    acetic acid 712.96
    dichloromethane 2960.82
    cyclohexanone 1044.4
    propylene glycol 150.18
    isopropyl acetate 419.51
    DMAc 1142.2
    2-ethoxyethanol 498.74
    isopentanol 357.11
    n-heptane 27.66
    ethyl formate 385.84
    1,2-dichloroethane 2025.17
    n-hexanol 304.5
    2-methoxyethanol 676.17
    isobutyl acetate 337.13
    tetrachloromethane 165.05
    n-pentyl acetate 286.25
    transcutol 2512.7
    n-heptanol 122.52
    ethylbenzene 214.56
    MIBK 399.12
    2-propoxyethanol 508.0
    tert-butanol 446.85
    MTBE 497.7
    2-butoxyethanol 270.72
    propionic acid 453.57
    o-xylene 182.14
    formic acid 163.97
    diethyl ether 755.77
    m-xylene 208.74
    p-xylene 244.83
    chlorobenzene 645.0
    dimethyl carbonate 303.42
    n-octane 14.34
    formamide 343.97
    cyclopentanone 1234.5
    2-pentanone 733.59
    anisole 489.89
    cyclopentyl methyl ether 562.87
    gamma-butyrolactone 1241.91
    1-methoxy-2-propanol 531.88
    pyridine 982.57
    3-pentanone 559.25
    furfural 899.45
    n-dodecane 14.9
    diethylene glycol 360.27
    diisopropyl ether 163.94
    tert-amyl alcohol 387.53
    acetylacetone 805.79
    n-hexadecane 17.63
    acetophenone 453.91
    methyl propionate 618.06
    isopentyl acetate 482.25
    trichloroethylene 3052.01
    n-nonanol 130.56
    cyclohexanol 346.93
    benzyl alcohol 339.34
    2-ethylhexanol 190.49
    isooctanol 112.45
    dipropyl ether 281.71
    1,2-dichlorobenzene 589.69
    ethyl lactate 211.89
    propylene carbonate 621.3
    n-methylformamide 576.48
    2-pentanol 275.74
    n-pentane 38.15
    1-propoxy-2-propanol 371.04
    1-methoxy-2-propyl acetate 454.08
    2-(2-methoxypropoxy) propanol 354.63
    mesitylene 130.24
    ε-caprolactone 758.42
    p-cymene 102.67
    epichlorohydrin 1594.61
    1,1,1-trichloroethane 1043.81
    2-aminoethanol 217.02
    morpholine-4-carbaldehyde 848.57
    sulfolane 1492.73
    2,2,4-trimethylpentane 29.72
    2-methyltetrahydrofuran 809.73
    n-hexyl acetate 421.76
    isooctane 24.07
    2-(2-butoxyethoxy)ethanol 497.67
    sec-butyl acetate 346.76
    tert-butyl acetate 441.47
    decalin 58.11
    glycerin 196.99
    diglyme 922.24
    acrylic acid 412.15
    isopropyl myristate 153.34
    n-butyric acid 617.07
    acetyl acetate 449.98
    di(2-ethylhexyl) phthalate 145.51
    ethyl propionate 452.96
    nitromethane 1458.02
    1,2-diethoxyethane 710.67
    benzonitrile 478.13
    trioctyl phosphate 99.75
    1-bromopropane 921.56
    gamma-valerolactone 1122.19
    n-decanol 98.89
    triethyl phosphate 177.27
    4-methyl-2-pentanol 155.88
    propionitrile 563.64
    vinylene carbonate 567.86
    1,1,2-trichlorotrifluoroethane 841.02
    DMS 410.97
    cumene 135.01
    2-octanol 95.32
    2-hexanone 584.39
    octyl acetate 196.2
    limonene 150.8
    1,2-dimethoxyethane 828.14
    ethyl orthosilicate 165.33
    tributyl phosphate 150.75
    diacetone alcohol 427.05
    N,N-dimethylaniline 287.3
    acrylonitrile 759.61
    aniline 428.45
    1,3-propanediol 300.66
    bromobenzene 757.26
    dibromomethane 1805.39
    1,1,2,2-tetrachloroethane 2331.6
    2-methyl-cyclohexyl acetate 279.54
    tetrabutyl urea 198.34
    diisobutyl methanol 112.58
    2-phenylethanol 285.38
    styrene 327.44
    dioctyl adipate 239.3
    dimethyl sulfate 505.01
    ethyl butyrate 393.63
    methyl lactate 249.33
    butyl lactate 238.31
    diethyl carbonate 281.54
    propanediol butyl ether 286.67
    triethyl orthoformate 239.5
    p-tert-butyltoluene 92.86
    methyl 4-tert-butylbenzoate 287.34
    morpholine 1018.77
    tert-butylamine 284.17
    n-dodecanol 76.03
    dimethoxymethane 769.86
    ethylene carbonate 458.91
    cyrene 304.87
    2-ethoxyethyl acetate 440.73
    2-ethylhexyl acetate 356.09
    1,2,4-trichlorobenzene 639.34
    4-methylpyridine 905.67
    dibutyl ether 304.69
    2,6-dimethyl-4-heptanol 112.58
    DEF 836.03
    dimethyl isosorbide 540.96
    tetrachloroethylene 1185.65
    eugenol 312.49
    triacetin 409.68
    span 80 275.01
    1,4-butanediol 155.69
    1,1-dichloroethane 1497.65
    2-methyl-1-pentanol 328.72
    methyl formate 431.5
    2-methyl-1-butanol 332.35
    n-decane 22.92
    butyronitrile 600.25
    3,7-dimethyl-1-octanol 158.12
    1-chlorooctane 136.41
    1-chlorotetradecane 53.82
    n-nonane 21.74
    undecane 18.16
    tert-butylcyclohexane 50.51
    cyclooctane 20.76
    cyclopentanol 335.52
    tetrahydropyran 924.52
    tert-amyl methyl ether 356.48
    2,5,8-trioxanonane 603.95
    1-hexene 337.19
    2-isopropoxyethanol 378.73
    2,2,2-trifluoroethanol 192.72
    methyl butyrate 652.2

    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 0.07%
Lycopersicon hirsutum leaf Lycopersicon hirsutum Humb. et Bonpl., fam Solanaceae 0.27%