Isopropyl tiglate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1733-25-1

    Molecular formula
    C8H14O2

    SMILES
    C/C=C(\C)/C(=O)OC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 973.0
    • Carbowax: 1238.0

  • Odor profile

    Fruity 85.59%
    Herbal 57.78%
    Chamomile 57.51%
    Sweet 55.33%
    Apple 54.01%
    Floral 44.8%
    Green 42.38%
    Ethereal 40.24%
    Winey 36.6%
    Mint 36.05%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    158°C

    Flash point est.
    50.46 ˚C

    Solubility expt.

    • completely miscible with alcohol and diluted alcohol

  • Synonyms

    • Isopropyl tiglate
    • 1733-25-1
    • Tiglic acid isopropyl ester
    • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (2E)-
    • FEMA No. 3229
    • Isopropyl alpha-methylcrotonate
    • Isopropyl 2-methyl-2-butenoate
    • Isopropyl alpha-methyl crotonate
    • UNII-50936QM86D
    • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (E)-
    • EINECS 217-067-9
    • 50936QM86D
    • propan-2-yl (E)-2-methylbut-2-enoate
    • (E)-1-Methylethyl 2-methyl-2-butenoate
    • AI3-33796
    • 1-Methylethyl 2-methyl-2-butenoate, (E)-
    • ISOPROPYL TIGLATE [FHFI]
    • DTXSID70883746
    • 2-Butenoic acid, 2-methyl-, 1-isopropyl ester, (E)-
    • Isopropyl tiglic acid
    • Isopropyl tiglate, >=98%
    • SCHEMBL666918
    • DTXCID10909196
    • CHEBI:180295
    • Isopropyl (E)-2-methylbut-2-enoate
    • Isopropyl (2Z)-2-methyl-2-butenoate
    • NS00046205
    • Q63395490
    • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (E)-(9CI)
    • 217-067-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 985.67
    methanol 911.62
    isopropanol 1241.45
    water 6.67
    ethyl acetate 841.28
    n-propanol 1008.75
    acetone 1444.61
    n-butanol 977.6
    acetonitrile 1406.79
    DMF 1590.1
    toluene 712.7
    isobutanol 940.54
    1,4-dioxane 1432.62
    methyl acetate 927.21
    THF 1744.57
    2-butanone 1160.01
    n-pentanol 799.48
    sec-butanol 1413.2
    n-hexane 525.11
    ethylene glycol 202.56
    NMP 1659.03
    cyclohexane 638.43
    DMSO 972.92
    n-butyl acetate 929.13
    n-octanol 857.22
    chloroform 4632.07
    n-propyl acetate 658.22
    acetic acid 1057.02
    dichloromethane 3356.62
    cyclohexanone 1750.2
    propylene glycol 426.72
    isopropyl acetate 567.47
    DMAc 1348.04
    2-ethoxyethanol 597.05
    isopentanol 868.23
    n-heptane 304.88
    ethyl formate 722.67
    1,2-dichloroethane 1578.51
    n-hexanol 987.24
    2-methoxyethanol 903.65
    isobutyl acetate 442.93
    tetrachloromethane 809.54
    n-pentyl acetate 669.91
    transcutol 1137.14
    n-heptanol 586.68
    ethylbenzene 622.18
    MIBK 571.01
    2-propoxyethanol 840.84
    tert-butanol 1538.08
    MTBE 1045.31
    2-butoxyethanol 582.78
    propionic acid 903.52
    o-xylene 609.26
    formic acid 233.15
    diethyl ether 878.14
    m-xylene 537.74
    p-xylene 892.2
    chlorobenzene 1096.15
    dimethyl carbonate 332.15
    n-octane 186.13
    formamide 331.3
    cyclopentanone 1712.99
    2-pentanone 911.72
    anisole 812.41
    cyclopentyl methyl ether 937.53
    gamma-butyrolactone 1764.23
    1-methoxy-2-propanol 777.71
    pyridine 1410.54
    3-pentanone 747.37
    furfural 1524.65
    n-dodecane 168.24
    diethylene glycol 502.46
    diisopropyl ether 367.47
    tert-amyl alcohol 1425.53
    acetylacetone 878.8
    n-hexadecane 183.13
    acetophenone 802.44
    methyl propionate 705.29
    isopentyl acetate 785.49
    trichloroethylene 3295.88
    n-nonanol 674.46
    cyclohexanol 1286.36
    benzyl alcohol 683.28
    2-ethylhexanol 708.4
    isooctanol 491.34
    dipropyl ether 578.59
    1,2-dichlorobenzene 1047.76
    ethyl lactate 386.94
    propylene carbonate 1120.26
    n-methylformamide 741.68
    2-pentanol 865.85
    n-pentane 391.66
    1-propoxy-2-propanol 749.67
    1-methoxy-2-propyl acetate 597.03
    2-(2-methoxypropoxy) propanol 608.21
    mesitylene 426.59
    ε-caprolactone 1311.34
    p-cymene 435.14
    epichlorohydrin 1611.33
    1,1,1-trichloroethane 2222.39
    2-aminoethanol 415.77
    morpholine-4-carbaldehyde 1238.44
    sulfolane 1906.74
    2,2,4-trimethylpentane 235.63
    2-methyltetrahydrofuran 1538.98
    n-hexyl acetate 1135.53
    isooctane 160.75
    2-(2-butoxyethoxy)ethanol 700.45
    sec-butyl acetate 469.43
    tert-butyl acetate 641.86
    decalin 315.64
    glycerin 399.78
    diglyme 1049.3
    acrylic acid 789.69
    isopropyl myristate 456.33
    n-butyric acid 1094.27
    acetyl acetate 599.31
    di(2-ethylhexyl) phthalate 397.03
    ethyl propionate 616.03
    nitromethane 1467.94
    1,2-diethoxyethane 636.46
    benzonitrile 1130.43
    trioctyl phosphate 341.63
    1-bromopropane 1391.11
    gamma-valerolactone 1583.52
    n-decanol 498.96
    triethyl phosphate 376.99
    4-methyl-2-pentanol 486.62
    propionitrile 1090.12
    vinylene carbonate 1124.66
    1,1,2-trichlorotrifluoroethane 1202.73
    DMS 629.76
    cumene 483.97
    2-octanol 636.4
    2-hexanone 800.99
    octyl acetate 603.16
    limonene 620.06
    1,2-dimethoxyethane 1167.33
    ethyl orthosilicate 343.07
    tributyl phosphate 390.31
    diacetone alcohol 700.92
    N,N-dimethylaniline 644.99
    acrylonitrile 1249.5
    aniline 724.79
    1,3-propanediol 571.85
    bromobenzene 1243.98
    dibromomethane 2545.2
    1,1,2,2-tetrachloroethane 2950.81
    2-methyl-cyclohexyl acetate 612.54
    tetrabutyl urea 471.81
    diisobutyl methanol 389.1
    2-phenylethanol 697.5
    styrene 712.1
    dioctyl adipate 586.97
    dimethyl sulfate 556.33
    ethyl butyrate 716.22
    methyl lactate 409.06
    butyl lactate 524.58
    diethyl carbonate 545.27
    propanediol butyl ether 692.66
    triethyl orthoformate 456.54
    p-tert-butyltoluene 433.05
    methyl 4-tert-butylbenzoate 712.38
    morpholine 1436.61
    tert-butylamine 1155.21
    n-dodecanol 398.41
    dimethoxymethane 734.15
    ethylene carbonate 890.54
    cyrene 572.1
    2-ethoxyethyl acetate 569.09
    2-ethylhexyl acetate 643.38
    1,2,4-trichlorobenzene 1206.59
    4-methylpyridine 1550.19
    dibutyl ether 749.3
    2,6-dimethyl-4-heptanol 389.1
    DEF 973.32
    dimethyl isosorbide 890.91
    tetrachloroethylene 1662.33
    eugenol 642.1
    triacetin 750.45
    span 80 692.26
    1,4-butanediol 336.5
    1,1-dichloroethane 2220.9
    2-methyl-1-pentanol 782.33
    methyl formate 657.38
    2-methyl-1-butanol 941.05
    n-decane 260.52
    butyronitrile 1200.26
    3,7-dimethyl-1-octanol 672.35
    1-chlorooctane 694.9
    1-chlorotetradecane 296.43
    n-nonane 284.06
    undecane 201.68
    tert-butylcyclohexane 310.44
    cyclooctane 214.43
    cyclopentanol 1338.71
    tetrahydropyran 1553.8
    tert-amyl methyl ether 844.53
    2,5,8-trioxanonane 800.81
    1-hexene 1052.56
    2-isopropoxyethanol 488.17
    2,2,2-trifluoroethanol 349.87
    methyl butyrate 884.0

    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
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.1%