Cinnamyl formate

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  • Identifiers

    CAS number
    104-65-4

    Molecular formula
    C10H10O2

    SMILES
    C1=CC=C(C=C1)/C=C/COC=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2094.0

  • Odor profile

    Green 76.54%
    Balsamic 72.66%
    Floral 72.27%
    Spicy 66.98%
    Fruity 65.61%
    Cinnamon 63.38%
    Sweet 62.15%
    Herbal 58.68%
    Hyacinth 44.35%
    Fresh 40.42%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.49 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point est.
    129.63 ˚C

    Solubility expt.

    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • Cinnamyl formate
    • 104-65-4
    • Cinnamyl alcohol, formate
    • Cinnamyl methanoate
    • Formic acid, cinnamyl ester
    • 3-Phenyl-2-propen-1-yl formate
    • 2-PROPEN-1-OL, 3-PHENYL-, FORMATE
    • FEMA No. 2299
    • gamma-Phenylallyl formate
    • 23510-72-7
    • 2-Propen-1-ol, 3-phenyl-, 1-formate
    • EINECS 203-223-3
    • [(E)-3-phenylprop-2-enyl] formate
    • NSC 21737
    • 3-Phenylallyl formate
    • BRN 1860334
    • 896AGS89RD
    • AI3-02455
    • NSC-21737
    • .gamma.-Phenylallyl formate
    • CINNAMYL FORMATE [FCC]
    • CINNAMYL FORMATE [FHFI]
    • 0-06-00-00571 (Beilstein Handbook Reference)
    • (E)-Cinnamyl formate
    • DTXSID00861714
    • UNII-896AGS89RD
    • (E)-Cinnamylformate
    • MFCD00021048
    • 2-Propen-1-ol, formate
    • WLN: VHO2U1R
    • 2-Propen-1-ol, 3-phenyl-, 1-formate, (2E)-
    • SCHEMBL22460
    • DTXCID40810600
    • CHEBI:196003
    • Cinnamyl alcohol, formate (8CI)
    • Cinnamyl formate, >=92%, FCC
    • DTXSID401265889
    • NSC21737
    • [(E)-3-phenylprop-2-enyl] ormate
    • AKOS015891432
    • (2E)-3-Phenyl-2-propenyl formate #
    • CS-W016114
    • DS-5279
    • LS-13762
    • NS00012097
    • Q27270010
    • 203-223-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 364.5
    methanol 482.16
    isopropanol 168.39
    water 0.33
    ethyl acetate 554.95
    n-propanol 214.41
    acetone 646.34
    n-butanol 144.64
    acetonitrile 422.14
    DMF 701.72
    toluene 158.14
    isobutanol 107.77
    1,4-dioxane 529.5
    methyl acetate 490.25
    THF 552.51
    2-butanone 491.38
    n-pentanol 129.84
    sec-butanol 139.19
    n-hexane 5.64
    ethylene glycol 143.98
    NMP 399.67
    cyclohexane 7.41
    DMSO 1587.61
    n-butyl acetate 206.5
    n-octanol 31.61
    chloroform 557.36
    n-propyl acetate 249.66
    acetic acid 391.68
    dichloromethane 743.93
    cyclohexanone 371.98
    propylene glycol 163.08
    isopropyl acetate 190.9
    DMAc 506.21
    2-ethoxyethanol 379.81
    isopentanol 116.61
    n-heptane 5.95
    ethyl formate 177.38
    1,2-dichloroethane 693.82
    n-hexanol 102.93
    2-methoxyethanol 571.06
    isobutyl acetate 126.57
    tetrachloromethane 36.33
    n-pentyl acetate 71.87
    transcutol 1682.43
    n-heptanol 35.38
    ethylbenzene 66.07
    MIBK 156.89
    2-propoxyethanol 253.61
    tert-butanol 205.14
    MTBE 186.64
    2-butoxyethanol 120.33
    propionic acid 267.71
    o-xylene 70.49
    formic acid 189.73
    diethyl ether 296.8
    m-xylene 77.07
    p-xylene 63.58
    chlorobenzene 173.22
    dimethyl carbonate 186.55
    n-octane 2.08
    formamide 460.04
    cyclopentanone 534.53
    2-pentanone 328.35
    anisole 215.83
    cyclopentyl methyl ether 235.3
    gamma-butyrolactone 618.83
    1-methoxy-2-propanol 341.86
    pyridine 511.04
    3-pentanone 246.01
    furfural 465.24
    n-dodecane 2.18
    diethylene glycol 255.18
    diisopropyl ether 54.02
    tert-amyl alcohol 154.69
    acetylacetone 436.81
    n-hexadecane 2.56
    acetophenone 189.94
    methyl propionate 417.84
    isopentyl acetate 160.9
    trichloroethylene 1174.56
    n-nonanol 30.69
    cyclohexanol 105.23
    benzyl alcohol 153.39
    2-ethylhexanol 61.96
    isooctanol 32.19
    dipropyl ether 98.41
    1,2-dichlorobenzene 149.76
    ethyl lactate 101.81
    propylene carbonate 251.38
    n-methylformamide 446.44
    2-pentanol 96.35
    n-pentane 4.49
    1-propoxy-2-propanol 162.59
    1-methoxy-2-propyl acetate 217.18
    2-(2-methoxypropoxy) propanol 164.91
    mesitylene 42.29
    ε-caprolactone 291.99
    p-cymene 34.71
    epichlorohydrin 903.7
    1,1,1-trichloroethane 300.63
    2-aminoethanol 223.48
    morpholine-4-carbaldehyde 485.16
    sulfolane 770.86
    2,2,4-trimethylpentane 5.62
    2-methyltetrahydrofuran 391.29
    n-hexyl acetate 106.06
    isooctane 4.69
    2-(2-butoxyethoxy)ethanol 248.63
    sec-butyl acetate 143.0
    tert-butyl acetate 203.44
    decalin 9.93
    glycerin 227.0
    diglyme 518.73
    acrylic acid 272.81
    isopropyl myristate 41.97
    n-butyric acid 253.15
    acetyl acetate 215.48
    di(2-ethylhexyl) phthalate 44.99
    ethyl propionate 208.66
    nitromethane 992.13
    1,2-diethoxyethane 302.27
    benzonitrile 163.33
    trioctyl phosphate 28.32
    1-bromopropane 212.58
    gamma-valerolactone 580.43
    n-decanol 23.95
    triethyl phosphate 66.35
    4-methyl-2-pentanol 53.84
    propionitrile 251.38
    vinylene carbonate 219.89
    1,1,2-trichlorotrifluoroethane 524.72
    DMS 172.42
    cumene 40.33
    2-octanol 19.89
    2-hexanone 211.76
    octyl acetate 51.02
    limonene 46.99
    1,2-dimethoxyethane 454.54
    ethyl orthosilicate 62.39
    tributyl phosphate 43.07
    diacetone alcohol 245.27
    N,N-dimethylaniline 111.27
    acrylonitrile 369.09
    aniline 217.52
    1,3-propanediol 233.59
    bromobenzene 177.87
    dibromomethane 390.64
    1,1,2,2-tetrachloroethane 777.53
    2-methyl-cyclohexyl acetate 97.84
    tetrabutyl urea 58.9
    diisobutyl methanol 39.64
    2-phenylethanol 118.12
    styrene 103.7
    dioctyl adipate 79.89
    dimethyl sulfate 303.28
    ethyl butyrate 148.07
    methyl lactate 159.26
    butyl lactate 73.4
    diethyl carbonate 111.21
    propanediol butyl ether 130.43
    triethyl orthoformate 93.64
    p-tert-butyltoluene 32.26
    methyl 4-tert-butylbenzoate 109.52
    morpholine 639.51
    tert-butylamine 90.95
    n-dodecanol 18.84
    dimethoxymethane 465.16
    ethylene carbonate 170.5
    cyrene 139.3
    2-ethoxyethyl acetate 177.57
    2-ethylhexyl acetate 120.39
    1,2,4-trichlorobenzene 203.52
    4-methylpyridine 353.18
    dibutyl ether 68.62
    2,6-dimethyl-4-heptanol 39.64
    DEF 355.47
    dimethyl isosorbide 250.23
    tetrachloroethylene 408.09
    eugenol 121.35
    triacetin 156.98
    span 80 110.03
    1,4-butanediol 98.05
    1,1-dichloroethane 430.67
    2-methyl-1-pentanol 107.24
    methyl formate 288.69
    2-methyl-1-butanol 112.24
    n-decane 3.35
    butyronitrile 178.01
    3,7-dimethyl-1-octanol 47.63
    1-chlorooctane 24.17
    1-chlorotetradecane 9.93
    n-nonane 3.08
    undecane 2.61
    tert-butylcyclohexane 9.57
    cyclooctane 3.41
    cyclopentanol 114.59
    tetrahydropyran 366.03
    tert-amyl methyl ether 136.91
    2,5,8-trioxanonane 316.34
    1-hexene 47.92
    2-isopropoxyethanol 225.29
    2,2,2-trifluoroethanol 116.54
    methyl butyrate 247.38

    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
Grapefruit leaf (Mauritius) 90045-43-5 Citrus paradisi Macfayden, fam. Rutaceae 0.18%
Orange leaf, sweet (Mauritius) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.56%