Cinnamyl isovalerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    140-27-2

    Molecular formula
    C14H18O2

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

  • Odor profile

    Fruity 90.15%
    Sweet 76.56%
    Floral 70.32%
    Balsamic 70.24%
    Spicy 58.19%
    Apple 57.86%
    Green 54.86%
    Herbal 53.23%
    Rose 50.53%
    Pineapple 45.9%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point est.
    140.2 ˚C

    Solubility expt.

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

  • Synonyms

    • Cinnamyl isovalerate
    • 140-27-2
    • Isovaleric acid, cinnamyl ester
    • 3-Phenylallyl isovalerate
    • Cinnamyl 3-methylbutanoate
    • Cinnamyl 3-methyl butyrate
    • Butanoic acid, 3-methyl-, 3-phenyl-2-propen-1-yl ester
    • Cinnamyl isovalerianate
    • FEMA No. 2302
    • [(E)-3-phenylprop-2-enyl] 3-methylbutanoate
    • 3-Phenylallyl 3-methylbutanoate
    • UNII-5JHK9Y2XRM
    • 5JHK9Y2XRM
    • BUTANOIC ACID, 3-METHYL-, 3-PHENYL-2-PROPENYL ESTER
    • EINECS 205-407-9
    • NSC 46141
    • 3-Phenyl-2-propenyl 3-methylbutanoate
    • BRN 3201227
    • Cinnamyl iso-valerate
    • AI3-24272
    • NSC-46141
    • 3-Methylbutanoic acid 3-phenyl-2-propenyl ester
    • trans-Cinnamyl isovalerate
    • CINNAMYL ISOVALERATE [FCC]
    • CINNAMYL ISOVALERATE [FHFI]
    • FEMA 2302
    • ((E)-3-phenylprop-2-enyl) 3-methylbutanoate
    • Isovaleric acid, cinnamyl ester (6CI,7CI,8CI)
    • DTXSID7059694
    • MFCD00048351
    • starbld0009579
    • Fema2302
    • SCHEMBL382511
    • CHEMBL4162391
    • DTXCID2034540
    • NSC46141
    • AKOS024437591
    • AKOS037646563
    • AS-69576
    • CS-0445912
    • NS00012099
    • E78812
    • trans-Cinnamyl isovalerate, >=95%, FCC, FG
    • (2E)-3-Phenyl-2-propenyl 3-methylbutanoate #
    • 3-methylbutanoic acid 3-phenyl-prop-2-en-1-yl ester
    • Q27262438
    • (2E)-3-Phenylprop-2-en-1-yl (2S)-2-methylbutanoic acid
    • 205-407-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 635.44
    methanol 635.51
    isopropanol 497.76
    water 0.29
    ethyl acetate 636.18
    n-propanol 486.35
    acetone 1404.11
    n-butanol 471.85
    acetonitrile 702.79
    DMF 1271.56
    toluene 260.07
    isobutanol 404.38
    1,4-dioxane 834.3
    methyl acetate 562.36
    THF 1346.36
    2-butanone 804.34
    n-pentanol 373.93
    sec-butanol 430.15
    n-hexane 102.62
    ethylene glycol 90.1
    NMP 923.41
    cyclohexane 99.06
    DMSO 1497.4
    n-butyl acetate 492.33
    n-octanol 172.0
    chloroform 2358.47
    n-propyl acetate 436.65
    acetic acid 717.15
    dichloromethane 2057.94
    cyclohexanone 1075.67
    propylene glycol 207.5
    isopropyl acetate 361.26
    DMAc 886.85
    2-ethoxyethanol 391.3
    isopentanol 395.89
    n-heptane 32.92
    ethyl formate 359.71
    1,2-dichloroethane 1483.07
    n-hexanol 380.0
    2-methoxyethanol 604.11
    isobutyl acetate 279.82
    tetrachloromethane 152.0
    n-pentyl acetate 245.51
    transcutol 1694.09
    n-heptanol 151.83
    ethylbenzene 184.18
    MIBK 393.37
    2-propoxyethanol 527.65
    tert-butanol 569.29
    MTBE 490.9
    2-butoxyethanol 280.17
    propionic acid 478.88
    o-xylene 164.84
    formic acid 137.4
    diethyl ether 603.29
    m-xylene 191.52
    p-xylene 224.88
    chlorobenzene 543.94
    dimethyl carbonate 239.69
    n-octane 17.0
    formamide 230.42
    cyclopentanone 1253.81
    2-pentanone 701.69
    anisole 400.39
    cyclopentyl methyl ether 567.97
    gamma-butyrolactone 1156.99
    1-methoxy-2-propanol 554.76
    pyridine 708.29
    3-pentanone 484.03
    furfural 781.02
    n-dodecane 15.28
    diethylene glycol 351.24
    diisopropyl ether 163.46
    tert-amyl alcohol 422.76
    acetylacetone 674.31
    n-hexadecane 17.72
    acetophenone 364.02
    methyl propionate 481.89
    isopentyl acetate 421.83
    trichloroethylene 2300.1
    n-nonanol 145.45
    cyclohexanol 440.86
    benzyl alcohol 298.55
    2-ethylhexanol 212.04
    isooctanol 135.16
    dipropyl ether 268.58
    1,2-dichlorobenzene 503.32
    ethyl lactate 203.94
    propylene carbonate 633.66
    n-methylformamide 445.84
    2-pentanol 349.58
    n-pentane 54.28
    1-propoxy-2-propanol 413.05
    1-methoxy-2-propyl acetate 408.64
    2-(2-methoxypropoxy) propanol 327.58
    mesitylene 126.24
    ε-caprolactone 729.33
    p-cymene 99.43
    epichlorohydrin 1338.5
    1,1,1-trichloroethane 989.86
    2-aminoethanol 232.65
    morpholine-4-carbaldehyde 708.55
    sulfolane 1373.58
    2,2,4-trimethylpentane 31.56
    2-methyltetrahydrofuran 844.08
    n-hexyl acetate 385.82
    isooctane 27.7
    2-(2-butoxyethoxy)ethanol 465.22
    sec-butyl acetate 281.55
    tert-butyl acetate 398.34
    decalin 56.13
    glycerin 219.58
    diglyme 766.65
    acrylic acid 407.45
    isopropyl myristate 146.89
    n-butyric acid 648.62
    acetyl acetate 358.98
    di(2-ethylhexyl) phthalate 145.16
    ethyl propionate 341.16
    nitromethane 1046.11
    1,2-diethoxyethane 469.08
    benzonitrile 406.2
    trioctyl phosphate 102.96
    1-bromopropane 744.41
    gamma-valerolactone 1078.88
    n-decanol 109.28
    triethyl phosphate 151.51
    4-methyl-2-pentanol 189.57
    propionitrile 460.95
    vinylene carbonate 558.94
    1,1,2-trichlorotrifluoroethane 797.33
    DMS 331.25
    cumene 128.83
    2-octanol 112.25
    2-hexanone 515.39
    octyl acetate 193.63
    limonene 151.88
    1,2-dimethoxyethane 694.14
    ethyl orthosilicate 140.0
    tributyl phosphate 140.54
    diacetone alcohol 447.27
    N,N-dimethylaniline 245.63
    acrylonitrile 555.28
    aniline 350.85
    1,3-propanediol 309.61
    bromobenzene 585.97
    dibromomethane 1377.65
    1,1,2,2-tetrachloroethane 2039.51
    2-methyl-cyclohexyl acetate 257.95
    tetrabutyl urea 177.35
    diisobutyl methanol 122.97
    2-phenylethanol 288.4
    styrene 242.9
    dioctyl adipate 224.83
    dimethyl sulfate 390.86
    ethyl butyrate 313.53
    methyl lactate 260.22
    butyl lactate 229.12
    diethyl carbonate 220.19
    propanediol butyl ether 319.73
    triethyl orthoformate 203.25
    p-tert-butyltoluene 94.45
    methyl 4-tert-butylbenzoate 273.43
    morpholine 967.36
    tert-butylamine 352.92
    n-dodecanol 84.85
    dimethoxymethane 610.51
    ethylene carbonate 446.34
    cyrene 294.76
    2-ethoxyethyl acetate 329.78
    2-ethylhexyl acetate 302.91
    1,2,4-trichlorobenzene 556.36
    4-methylpyridine 661.7
    dibutyl ether 263.67
    2,6-dimethyl-4-heptanol 122.97
    DEF 587.95
    dimethyl isosorbide 487.78
    tetrachloroethylene 1016.74
    eugenol 282.07
    triacetin 363.3
    span 80 285.55
    1,4-butanediol 157.37
    1,1-dichloroethane 1319.93
    2-methyl-1-pentanol 322.82
    methyl formate 373.36
    2-methyl-1-butanol 369.91
    n-decane 25.58
    butyronitrile 522.14
    3,7-dimethyl-1-octanol 182.22
    1-chlorooctane 147.76
    1-chlorotetradecane 55.26
    n-nonane 25.9
    undecane 19.13
    tert-butylcyclohexane 51.32
    cyclooctane 26.98
    cyclopentanol 445.6
    tetrahydropyran 940.74
    tert-amyl methyl ether 327.79
    2,5,8-trioxanonane 497.35
    1-hexene 372.91
    2-isopropoxyethanol 315.46
    2,2,2-trifluoroethanol 202.67
    methyl butyrate 487.89

    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
Semenovia tragioides (Iran) Semenovia tragioides (Boiss.) Manden., fam. Apiaceae (Umbelliferae) 9.4%