2-Buten-1-ol, 2-methyl-, 1-acetate, (2E)-

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  • Identifiers

    CAS number
    19248-94-3

    Molecular formula
    C7H12O2

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

    Retention indicies (RI)

    • DB5: 774.0

  • Odor profile

    Fruity 94.68%
    Green 69.68%
    Ethereal 53.02%
    Banana 46.47%
    Apple 44.22%
    Sweet 43.37%
    Fresh 38.28%
    Rummy 37.17%
    Sharp 36.89%
    Herbal 35.14%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    150°C

    Flash point est.
    49.57 ˚C

  • Synonyms

    • Tiglyl acetate
    • 2-Buten-1-ol, 2-methyl-, acetate, (2E)-
    • 19248-94-3
    • [(E)-2-methylbut-2-enyl] acetate
    • EINECS 242-916-5
    • 2-Buten-1-ol, 2-methyl-, 1-acetate, (2E)-
    • 2-methyl-2-butenyl acetate
    • DTXSID601271496
    • (E)-2-Methyl-2-butenyl acetate
    • SCHEMBL2149292
    • 2-Methylbut-2-en-1-yl acetate
    • DTXCID201702083
    • 2-Buten-1-ol, 2-methyl-, acetate
    • 2-Buten-1-ol, 2-methyl-, 1-acetate
    • NS00049027

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1003.61
    methanol 881.96
    isopropanol 1130.18
    water 18.28
    ethyl acetate 325.18
    n-propanol 742.03
    acetone 636.09
    n-butanol 657.99
    acetonitrile 586.07
    DMF 872.92
    toluene 186.94
    isobutanol 603.86
    1,4-dioxane 806.04
    methyl acetate 476.99
    THF 707.02
    2-butanone 493.49
    n-pentanol 393.45
    sec-butanol 909.94
    n-hexane 83.12
    ethylene glycol 288.23
    NMP 546.65
    cyclohexane 99.14
    DMSO 577.22
    n-butyl acetate 190.93
    n-octanol 278.59
    chloroform 1268.78
    n-propyl acetate 152.05
    acetic acid 585.99
    dichloromethane 944.53
    cyclohexanone 464.4
    propylene glycol 581.8
    isopropyl acetate 194.69
    DMAc 812.28
    2-ethoxyethanol 442.24
    isopentanol 475.53
    n-heptane 51.5
    ethyl formate 280.74
    1,2-dichloroethane 388.22
    n-hexanol 391.81
    2-methoxyethanol 839.48
    isobutyl acetate 104.51
    tetrachloromethane 201.5
    n-pentyl acetate 154.33
    transcutol 695.95
    n-heptanol 213.16
    ethylbenzene 146.07
    MIBK 193.35
    2-propoxyethanol 473.36
    tert-butanol 1111.52
    MTBE 490.66
    2-butoxyethanol 286.28
    propionic acid 536.56
    o-xylene 171.88
    formic acid 230.78
    diethyl ether 329.37
    m-xylene 142.52
    p-xylene 206.22
    chlorobenzene 214.18
    dimethyl carbonate 124.25
    n-octane 29.85
    formamide 293.99
    cyclopentanone 504.76
    2-pentanone 300.58
    anisole 277.42
    cyclopentyl methyl ether 294.77
    gamma-butyrolactone 519.27
    1-methoxy-2-propanol 703.63
    pyridine 459.25
    3-pentanone 235.58
    furfural 512.99
    n-dodecane 31.07
    diethylene glycol 369.52
    diisopropyl ether 99.36
    tert-amyl alcohol 838.49
    acetylacetone 301.79
    n-hexadecane 33.03
    acetophenone 226.2
    methyl propionate 288.73
    isopentyl acetate 172.66
    trichloroethylene 771.48
    n-nonanol 225.71
    cyclohexanol 507.0
    benzyl alcohol 265.03
    2-ethylhexanol 219.88
    isooctanol 162.26
    dipropyl ether 150.47
    1,2-dichlorobenzene 194.59
    ethyl lactate 138.7
    propylene carbonate 299.09
    n-methylformamide 442.58
    2-pentanol 485.97
    n-pentane 84.9
    1-propoxy-2-propanol 347.15
    1-methoxy-2-propyl acetate 199.72
    2-(2-methoxypropoxy) propanol 307.36
    mesitylene 92.31
    ε-caprolactone 413.91
    p-cymene 97.16
    epichlorohydrin 556.97
    1,1,1-trichloroethane 536.96
    2-aminoethanol 548.87
    morpholine-4-carbaldehyde 661.22
    sulfolane 494.39
    2,2,4-trimethylpentane 56.02
    2-methyltetrahydrofuran 599.98
    n-hexyl acetate 289.67
    isooctane 33.74
    2-(2-butoxyethoxy)ethanol 342.12
    sec-butyl acetate 123.9
    tert-butyl acetate 208.56
    decalin 57.45
    glycerin 507.27
    diglyme 505.52
    acrylic acid 423.27
    isopropyl myristate 121.43
    n-butyric acid 513.42
    acetyl acetate 197.4
    di(2-ethylhexyl) phthalate 129.55
    ethyl propionate 153.07
    nitromethane 651.21
    1,2-diethoxyethane 227.67
    benzonitrile 288.22
    trioctyl phosphate 95.48
    1-bromopropane 331.14
    gamma-valerolactone 667.96
    n-decanol 167.06
    triethyl phosphate 101.85
    4-methyl-2-pentanol 231.48
    propionitrile 425.36
    vinylene carbonate 298.83
    1,1,2-trichlorotrifluoroethane 541.72
    DMS 186.94
    cumene 117.87
    2-octanol 183.45
    2-hexanone 210.9
    octyl acetate 167.37
    limonene 150.5
    1,2-dimethoxyethane 573.8
    ethyl orthosilicate 95.49
    tributyl phosphate 104.18
    diacetone alcohol 340.81
    N,N-dimethylaniline 223.33
    acrylonitrile 485.54
    aniline 303.76
    1,3-propanediol 605.43
    bromobenzene 203.17
    dibromomethane 647.32
    1,1,2,2-tetrachloroethane 723.41
    2-methyl-cyclohexyl acetate 159.03
    tetrabutyl urea 139.24
    diisobutyl methanol 125.12
    2-phenylethanol 228.64
    styrene 161.07
    dioctyl adipate 171.83
    dimethyl sulfate 205.41
    ethyl butyrate 151.13
    methyl lactate 232.17
    butyl lactate 152.72
    diethyl carbonate 119.22
    propanediol butyl ether 348.61
    triethyl orthoformate 119.71
    p-tert-butyltoluene 100.65
    methyl 4-tert-butylbenzoate 242.13
    morpholine 913.01
    tert-butylamine 663.47
    n-dodecanol 129.17
    dimethoxymethane 366.98
    ethylene carbonate 231.05
    cyrene 243.05
    2-ethoxyethyl acetate 206.56
    2-ethylhexyl acetate 138.7
    1,2,4-trichlorobenzene 261.97
    4-methylpyridine 483.47
    dibutyl ether 179.23
    2,6-dimethyl-4-heptanol 125.12
    DEF 366.15
    dimethyl isosorbide 342.13
    tetrachloroethylene 395.33
    eugenol 243.17
    triacetin 253.47
    span 80 303.13
    1,4-butanediol 275.98
    1,1-dichloroethane 657.26
    2-methyl-1-pentanol 329.95
    methyl formate 296.47
    2-methyl-1-butanol 486.22
    n-decane 47.78
    butyronitrile 431.01
    3,7-dimethyl-1-octanol 239.17
    1-chlorooctane 139.55
    1-chlorotetradecane 62.54
    n-nonane 47.73
    undecane 37.41
    tert-butylcyclohexane 66.05
    cyclooctane 30.22
    cyclopentanol 582.19
    tetrahydropyran 578.84
    tert-amyl methyl ether 356.79
    2,5,8-trioxanonane 398.1
    1-hexene 223.52
    2-isopropoxyethanol 321.33
    2,2,2-trifluoroethanol 216.63
    methyl butyrate 220.48

    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
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.33%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.01%
Roman chamomile 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 3.1%