Phenethyl tiglate

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  • Identifiers

    CAS number
    55719-85-2

    Molecular formula
    C13H16O2

    SMILES
    C/C=C(\C)/C(=O)OCCC1=CC=CC=C1

    Retention indicies (RI)

    • DB5: 1584.0
    • Carbowax: 2178.33

  • Odor profile

    Fragrance
    Green 81.27%
    Floral 79.58%
    Sweet 71.84%
    Herbal 66.61%
    Balsamic 61.83%
    Rose 52.9%
    Woody 50.68%
    Spicy 43.64%
    Leafy 39.38%
    Earthy 38.22%

     

    Flavor
    Floral 56.9%
    Rose 52.31%
    Fruity 48.01%
    Balsam 44.93%
    Sweet 32.56%
    Honey 32.17%
    Chocolate 25.72%
    Amber 25.54%
    Spicy 25.21%
    Jasmin 24.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.39 (neutral)

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 129.07 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Phenethyl tiglate
    • 55719-85-2
    • 2-Phenylethyl tiglate
    • Phenylethyl tiglate
    • Phenethyl 2-methylcrotonate
    • FEMA 2870
    • 2-phenylethyl (E)-2-methylbut-2-enoate
    • FEMA No. 2870
    • Phenylethyl-alpha-methylbutenoate
    • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-
    • EINECS 259-774-5
    • 2-Phenylethyl trans-2-methylbutenoate
    • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-
    • BRN 2523411
    • DTXSID8047684
    • AI3-05783
    • 2-Phenylethyl 2-methyl-2-butenoate, (E)-
    • NSC-69122
    • 121LO7146V
    • 2-phenylethyl (2E)-2-methylbut-2-enoate
    • DTXCID6027684
    • PHENETHYL TIGLATE [FHFI]
    • .BETA.-PHENYLETHYL TIGLATE
    • 1-06-00-00238 (Beilstein Handbook Reference)
    • Phenyl ethyl tiglate
    • 2-BUTENOIC ACID, 2-METHYL-, PHENETHYL ESTER
    • UNII-121LO7146V
    • beta-Phenylethyl tiglate
    • Fema2870
    • Phenyl ethyl angelate, 2-
    • SCHEMBL872900
    • SCHEMBL873497
    • CHEMBL3560718
    • CHEBI:195940
    • NSC69122
    • Tox21_302686
    • NCGC00256845-01
    • CAS-55719-85-2
    • Phenethyl tiglate, >=95%, stabilized, FG
    • NS00013125
    • G58030
    • EN300-23051428
    • 2-Butenoic acid,2-methyl-,2-phenylethyl ester,(2E)-
    • Q27251355

  • Applications

    Phenethyl tiglate, CAS 55719-85-2, is primarily regarded as a fragrance ingredient and a fixative in perfumery, contributing a distinctive aroma and helping to stabilize odor in formulations. It is commonly evaluated for use in cosmetics and personal care as a scent component, and may appear in household products such as laundry aids or cleaners as a fragrance additive. In industrial contexts, this ester can serve as an intermediate for the synthesis of other fragrance-related compounds and specialty polymers, or be used in coatings or inks where fragrance or odorant functionality is desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 478.67
    methanol 621.21
    isopropanol 313.47
    water 0.38
    ethyl acetate 1174.14
    n-propanol 417.87
    acetone 951.2
    n-butanol 377.88
    acetonitrile 1196.7
    DMF 986.64
    toluene 519.03
    isobutanol 312.5
    1,4-dioxane 1394.7
    methyl acetate 869.09
    THF 1033.32
    2-butanone 974.13
    n-pentanol 321.78
    sec-butanol 401.63
    n-hexane 88.1
    ethylene glycol 41.08
    NMP 615.91
    cyclohexane 115.34
    DMSO 820.1
    n-butyl acetate 659.76
    n-octanol 139.92
    chloroform 3380.48
    n-propyl acetate 723.94
    acetic acid 622.65
    dichloromethane 3664.24
    cyclohexanone 1110.94
    propylene glycol 74.63
    isopropyl acetate 606.72
    DMAc 891.88
    2-ethoxyethanol 535.65
    isopentanol 403.04
    n-heptane 31.54
    ethyl formate 390.67
    1,2-dichloroethane 2465.29
    n-hexanol 283.14
    2-methoxyethanol 609.22
    isobutyl acetate 397.31
    tetrachloromethane 283.74
    n-pentyl acetate 337.37
    transcutol 2558.12
    n-heptanol 148.36
    ethylbenzene 322.72
    MIBK 462.03
    2-propoxyethanol 491.97
    tert-butanol 532.17
    MTBE 802.44
    2-butoxyethanol 313.77
    propionic acid 437.79
    o-xylene 291.71
    formic acid 154.86
    diethyl ether 1198.05
    m-xylene 295.1
    p-xylene 378.77
    chlorobenzene 856.8
    dimethyl carbonate 320.62
    n-octane 18.08
    formamide 407.33
    cyclopentanone 1016.64
    2-pentanone 797.82
    anisole 711.85
    cyclopentyl methyl ether 543.8
    gamma-butyrolactone 1094.54
    1-methoxy-2-propanol 456.01
    pyridine 1215.58
    3-pentanone 712.66
    furfural 928.31
    n-dodecane 15.37
    diethylene glycol 279.74
    diisopropyl ether 249.19
    tert-amyl alcohol 503.3
    acetylacetone 835.98
    n-hexadecane 18.28
    acetophenone 589.62
    methyl propionate 711.39
    isopentyl acetate 572.5
    trichloroethylene 3698.21
    n-nonanol 136.6
    cyclohexanol 365.52
    benzyl alcohol 382.82
    2-ethylhexanol 204.72
    isooctanol 139.58
    dipropyl ether 319.53
    1,2-dichlorobenzene 792.56
    ethyl lactate 198.22
    propylene carbonate 597.24
    n-methylformamide 495.43
    2-pentanol 307.76
    n-pentane 54.92
    1-propoxy-2-propanol 355.39
    1-methoxy-2-propyl acetate 518.3
    2-(2-methoxypropoxy) propanol 377.26
    mesitylene 185.01
    ε-caprolactone 887.4
    p-cymene 128.65
    epichlorohydrin 1708.42
    1,1,1-trichloroethane 1599.96
    2-aminoethanol 147.97
    morpholine-4-carbaldehyde 798.77
    sulfolane 992.75
    2,2,4-trimethylpentane 42.12
    2-methyltetrahydrofuran 844.19
    n-hexyl acetate 452.46
    isooctane 35.36
    2-(2-butoxyethoxy)ethanol 536.28
    sec-butyl acetate 470.3
    tert-butyl acetate 610.91
    decalin 75.92
    glycerin 114.49
    diglyme 1079.39
    acrylic acid 366.14
    isopropyl myristate 177.72
    n-butyric acid 603.92
    acetyl acetate 633.58
    di(2-ethylhexyl) phthalate 147.14
    ethyl propionate 594.77
    nitromethane 1422.89
    1,2-diethoxyethane 928.86
    benzonitrile 550.92
    trioctyl phosphate 97.9
    1-bromopropane 1129.56
    gamma-valerolactone 1140.91
    n-decanol 102.0
    triethyl phosphate 200.71
    4-methyl-2-pentanol 189.93
    propionitrile 760.66
    vinylene carbonate 608.15
    1,1,2-trichlorotrifluoroethane 726.8
    DMS 449.62
    cumene 200.95
    2-octanol 112.62
    2-hexanone 614.79
    octyl acetate 217.13
    limonene 179.2
    1,2-dimethoxyethane 1032.05
    ethyl orthosilicate 195.14
    tributyl phosphate 151.85
    diacetone alcohol 459.21
    N,N-dimethylaniline 379.88
    acrylonitrile 894.63
    aniline 508.37
    1,3-propanediol 263.2
    bromobenzene 1007.21
    dibromomethane 2236.24
    1,1,2,2-tetrachloroethane 2697.83
    2-methyl-cyclohexyl acetate 326.73
    tetrabutyl urea 184.18
    diisobutyl methanol 128.69
    2-phenylethanol 326.82
    styrene 476.86
    dioctyl adipate 253.49
    dimethyl sulfate 418.65
    ethyl butyrate 467.04
    methyl lactate 200.2
    butyl lactate 235.15
    diethyl carbonate 342.91
    propanediol butyl ether 246.05
    triethyl orthoformate 298.9
    p-tert-butyltoluene 120.66
    methyl 4-tert-butylbenzoate 355.93
    morpholine 1275.09
    tert-butylamine 370.28
    n-dodecanol 79.51
    dimethoxymethane 732.32
    ethylene carbonate 514.7
    cyrene 303.16
    2-ethoxyethyl acetate 537.27
    2-ethylhexyl acetate 445.73
    1,2,4-trichlorobenzene 767.93
    4-methylpyridine 1077.45
    dibutyl ether 328.27
    2,6-dimethyl-4-heptanol 128.69
    DEF 847.67
    dimethyl isosorbide 609.73
    tetrachloroethylene 1572.39
    eugenol 372.13
    triacetin 431.66
    span 80 277.04
    1,4-butanediol 118.18
    1,1-dichloroethane 1975.84
    2-methyl-1-pentanol 366.64
    methyl formate 359.62
    2-methyl-1-butanol 385.54
    n-decane 24.86
    butyronitrile 689.19
    3,7-dimethyl-1-octanol 172.07
    1-chlorooctane 140.11
    1-chlorotetradecane 56.63
    n-nonane 22.64
    undecane 18.85
    tert-butylcyclohexane 68.14
    cyclooctane 34.1
    cyclopentanol 270.2
    tetrahydropyran 1166.42
    tert-amyl methyl ether 529.49
    2,5,8-trioxanonane 681.24
    1-hexene 345.32
    2-isopropoxyethanol 400.48
    2,2,2-trifluoroethanol 193.05
    methyl butyrate 787.02

    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
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Algeria) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.76%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium, Bourbon 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.57%
Geranium, Bourbon 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.64%
Geranium, Bourbon 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.37%
Geranium, Bourbon 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.43%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (China) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.6%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Egypt) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.65%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Morocco) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.04%
Geranium (Rwanda) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.15%
Geranium (India) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.25%
Geranium (India) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.85%
Geranium (India) 8 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.55%
Geranium (Egypt) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.98%
Geranium (China, Yunnan) 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.76%
Geranium (China, Beijing) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.3%
Geranium (China, Chengdu) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.61%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.05%
Geranium (Australia) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.7%
Geranium, Bourbon 11 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.6%
Geranium (China) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, gam. Geraniaceae 0.6%
Tagetes (Egypt) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.14%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.11%
Geranium (India) 11 8000-46-2 Pelargonium species, fam. Geraniaceae 0.9%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 1.0%
Geranium (India) 14b 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.9%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 1.3%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%
Geranium (India) 12a Genotype 1 'Algerian' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.7%
Geranium (India) 12b Genotype 2 'Bourbon' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.7%
Geranium (India) 12c Genotype 3 'Kelkar' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.5%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%