Isopropyl Cinnamate

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  • Identifiers

    CAS number
    7780-06-5

    Molecular formula
    C12H14O2

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

    Retention indicies (RI)

    • Carbowax: 2097.0

  • Odor profile

    Fruity 88.45%
    Sweet 88.02%
    Balsamic 80.62%
    Spicy 56.26%
    Floral 54.45%
    Cinnamon 49.15%
    Honey 48.87%
    Berry 47.05%
    Cherry 42.71%
    Cocoa 42.04%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point est.
    125.3 ˚C

    Solubility expt.

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

  • Synonyms

    • Isopropyl cinnamate
    • 7780-06-5
    • Isopropyl (E)-cinnamate
    • Iso-propyl cinnamate
    • CINNAMIC ACID, ISOPROPYL ESTER
    • Isopropyl 3-phenylpropenoate
    • trans-Cinnamic acid isopropyl ester
    • Isopropyl trans-cinnamate
    • 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester
    • 1-Methylethyl 3-phenylpropenoate
    • Isopropyl cinnamate [FHFI]
    • 60512-85-8
    • FEMA No. 2939
    • propan-2-yl (E)-3-phenylprop-2-enoate
    • UNII-6RWC10BDD7
    • (E)-1-Methylethyl 3-phenylacrylate
    • 6RWC10BDD7
    • Isopropyl (E)-3-phenyl-2-propenoate
    • EINECS 231-949-0
    • 1-Methylethyl 3-phenyl-2-propenoate
    • BRN 1908938
    • (2E)-3-Phenyl-2-propenoic acid 1-methylethyl ester
    • AI3-02026
    • 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester, (2E)-
    • Isopropylester kyseliny skoricove
    • Isopropyl 3-phenyl-2-propenoate
    • 2-09-00-00387 (Beilstein Handbook Reference)
    • DTXSID3064809
    • propan-2-yl (2Z)-3-phenylprop-2-enoate
    • MFCD00048292
    • Isopropylester kyseliny skoricove [Czech]
    • Isopropyl cinnamate, 98%
    • SCHEMBL133104
    • CHEMBL2252107
    • DTXCID4048010
    • CHEBI:191626
    • Isopropyl cinnamate, >=96%, FG
    • isopropyl (E)-3-phenylprop-2-enoate
    • AKOS015839127
    • 3-Phenyl-acrylic acid, isopropyl ester
    • NS00012724
    • D89457
    • Q27265400
    • 231-949-0

  • Applications

    Isopropyl cinnamate (CAS 7780-06-5) is an aromatic ester derived from cinnamic acid that finds use as a warm, sweet flavor additive in confectionery, beverages and tobacco, as a perfume ingredient that provides balsamic-vanilla-woody nuances while acting as a fragrance fixative, as a UVB-absorbing filter in sunscreen and cosmetic emulsions where it raises SPF and retards photodegradation of colors and odors, as an intermediate in the synthesis of antibacterial, anti-inflammatory and antioxidant pharmaceutical derivatives, and in polymer, ink and wood-coating formulations it serves as a light-stabilizing agent that limits yellowing and fading of plastics, cellulose or painted surfaces and therefore enhances weather resistance of finished products.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.16
    methanol 286.04
    isopropanol 164.85
    water 0.29
    ethyl acetate 299.33
    n-propanol 190.3
    acetone 720.33
    n-butanol 191.38
    acetonitrile 302.98
    DMF 1335.06
    toluene 129.57
    isobutanol 140.33
    1,4-dioxane 528.76
    methyl acetate 295.75
    THF 825.57
    2-butanone 377.6
    n-pentanol 146.82
    sec-butanol 146.94
    n-hexane 44.77
    ethylene glycol 72.16
    NMP 933.53
    cyclohexane 33.34
    DMSO 1118.81
    n-butyl acetate 244.72
    n-octanol 70.29
    chloroform 1132.06
    n-propyl acetate 178.92
    acetic acid 386.5
    dichloromethane 987.8
    cyclohexanone 534.85
    propylene glycol 106.81
    isopropyl acetate 189.1
    DMAc 1034.34
    2-ethoxyethanol 227.83
    isopentanol 187.12
    n-heptane 14.21
    ethyl formate 157.69
    1,2-dichloroethane 763.82
    n-hexanol 167.69
    2-methoxyethanol 422.42
    isobutyl acetate 133.02
    tetrachloromethane 64.83
    n-pentyl acetate 113.6
    transcutol 1172.44
    n-heptanol 61.99
    ethylbenzene 92.87
    MIBK 200.74
    2-propoxyethanol 312.42
    tert-butanol 250.05
    MTBE 263.19
    2-butoxyethanol 137.29
    propionic acid 223.14
    o-xylene 88.86
    formic acid 107.06
    diethyl ether 304.24
    m-xylene 101.91
    p-xylene 111.57
    chlorobenzene 273.64
    dimethyl carbonate 191.54
    n-octane 6.52
    formamide 188.46
    cyclopentanone 742.04
    2-pentanone 321.66
    anisole 251.79
    cyclopentyl methyl ether 354.17
    gamma-butyrolactone 725.38
    1-methoxy-2-propanol 333.93
    pyridine 417.91
    3-pentanone 261.08
    furfural 500.74
    n-dodecane 7.01
    diethylene glycol 255.23
    diisopropyl ether 80.52
    tert-amyl alcohol 198.28
    acetylacetone 451.51
    n-hexadecane 8.17
    acetophenone 210.53
    methyl propionate 300.32
    isopentyl acetate 224.16
    trichloroethylene 1253.24
    n-nonanol 66.02
    cyclohexanol 168.72
    benzyl alcohol 164.1
    2-ethylhexanol 108.57
    isooctanol 53.73
    dipropyl ether 129.68
    1,2-dichlorobenzene 273.16
    ethyl lactate 104.6
    propylene carbonate 382.38
    n-methylformamide 315.3
    2-pentanol 126.56
    n-pentane 21.45
    1-propoxy-2-propanol 213.91
    1-methoxy-2-propyl acetate 261.18
    2-(2-methoxypropoxy) propanol 222.27
    mesitylene 63.84
    ε-caprolactone 384.27
    p-cymene 53.89
    epichlorohydrin 862.39
    1,1,1-trichloroethane 455.72
    2-aminoethanol 141.67
    morpholine-4-carbaldehyde 630.5
    sulfolane 968.14
    2,2,4-trimethylpentane 16.42
    2-methyltetrahydrofuran 513.53
    n-hexyl acetate 201.26
    isooctane 12.76
    2-(2-butoxyethoxy)ethanol 275.9
    sec-butyl acetate 136.44
    tert-butyl acetate 242.3
    decalin 30.85
    glycerin 157.67
    diglyme 494.31
    acrylic acid 226.23
    isopropyl myristate 78.16
    n-butyric acid 279.77
    acetyl acetate 234.4
    di(2-ethylhexyl) phthalate 88.91
    ethyl propionate 174.71
    nitromethane 740.16
    1,2-diethoxyethane 288.1
    benzonitrile 206.72
    trioctyl phosphate 56.21
    1-bromopropane 342.78
    gamma-valerolactone 693.98
    n-decanol 49.83
    triethyl phosphate 95.7
    4-methyl-2-pentanol 86.8
    propionitrile 202.28
    vinylene carbonate 324.7
    1,1,2-trichlorotrifluoroethane 492.52
    DMS 238.39
    cumene 66.14
    2-octanol 42.86
    2-hexanone 210.52
    octyl acetate 98.92
    limonene 86.19
    1,2-dimethoxyethane 447.33
    ethyl orthosilicate 90.1
    tributyl phosphate 87.99
    diacetone alcohol 266.38
    N,N-dimethylaniline 164.5
    acrylonitrile 286.54
    aniline 195.85
    1,3-propanediol 181.24
    bromobenzene 307.73
    dibromomethane 631.21
    1,1,2,2-tetrachloroethane 1067.11
    2-methyl-cyclohexyl acetate 151.24
    tetrabutyl urea 113.92
    diisobutyl methanol 61.38
    2-phenylethanol 158.16
    styrene 134.14
    dioctyl adipate 137.22
    dimethyl sulfate 354.9
    ethyl butyrate 157.29
    methyl lactate 162.78
    butyl lactate 108.44
    diethyl carbonate 127.68
    propanediol butyl ether 153.6
    triethyl orthoformate 119.97
    p-tert-butyltoluene 54.97
    methyl 4-tert-butylbenzoate 169.42
    morpholine 590.33
    tert-butylamine 154.56
    n-dodecanol 39.29
    dimethoxymethane 475.84
    ethylene carbonate 268.03
    cyrene 201.23
    2-ethoxyethyl acetate 198.62
    2-ethylhexyl acetate 179.3
    1,2,4-trichlorobenzene 326.73
    4-methylpyridine 391.93
    dibutyl ether 128.81
    2,6-dimethyl-4-heptanol 61.38
    DEF 420.16
    dimethyl isosorbide 350.75
    tetrachloroethylene 507.24
    eugenol 169.13
    triacetin 223.27
    span 80 167.81
    1,4-butanediol 75.66
    1,1-dichloroethane 571.47
    2-methyl-1-pentanol 149.97
    methyl formate 231.32
    2-methyl-1-butanol 160.49
    n-decane 10.87
    butyronitrile 215.67
    3,7-dimethyl-1-octanol 86.53
    1-chlorooctane 61.55
    1-chlorotetradecane 26.58
    n-nonane 10.14
    undecane 8.53
    tert-butylcyclohexane 28.74
    cyclooctane 10.67
    cyclopentanol 191.5
    tetrahydropyran 456.17
    tert-amyl methyl ether 202.13
    2,5,8-trioxanonane 365.39
    1-hexene 158.27
    2-isopropoxyethanol 173.37
    2,2,2-trifluoroethanol 127.99
    methyl butyrate 231.46

    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
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.16%