Isopropenyl acetate

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  • Identifiers

    CAS number
    108-22-5

    Molecular formula
    C5H8O2

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 86.19%
    Ethereal 62.66%
    Sweet 56.03%
    Rummy 48.58%
    Apple 47.5%
    Sharp 44.21%
    Pungent 43.59%
    Winey 38.16%
    Banana 35.88%
    Grape 35.28%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -92.9 °C

    Boiling point

    • 97 °C

    Flash point est.
    7.91 ˚C

    Flash point expt.

    • 60 °F (NFPA, 2010)
    • 15.5 °C
    • 60 °F (16 °C) (CLOSED CUP)

    Solubility expt.

    • Soluble in ethanol and acetone, very soluble in ethyl ether.
    • Solubility in water 3.25% by weight.
    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Isopropenyl acetate
    • 108-22-5
    • prop-1-en-2-yl acetate
    • 1-Methylvinyl acetate
    • 2-Acetoxypropene
    • 2-Acetoxypropylene
    • Methylvinyl acetate
    • 1-PROPEN-2-OL, ACETATE
    • Propen-2-yl acetate
    • Acetic acid isopropenyl ester
    • 1-Propen-2-yl acetate
    • 1-Acetoxy-1-methylethylene
    • 2-acetoxy-1-propene
    • Acetic acid, isopropenyl ester
    • CCRIS 6537
    • HSDB 5383
    • NSC 2197
    • 1-Propen-2-ol 2-acetate
    • EINECS 203-562-7
    • UNII-4AR9LAS337
    • UN2403
    • 1-Propen-2-ol, 2-acetate
    • BRN 1280347
    • Isopropenylester kyseliny octove
    • DTXSID3031492
    • AI3-17634
    • Acetic acid 1-methylethenyl ester
    • NSC-2197
    • ACETIC ACID,ISOPROPENYL ESTER
    • 4AR9LAS337
    • DTXCID1011492
    • FEMA NO. 4152
    • ISOPROPENYL ACETATE [MI]
    • EC 203-562-7
    • 4-02-00-00179 (Beilstein Handbook Reference)
    • UN 2403
    • 1-PROPEN-2-OL, ACETATE [HSDB]
    • Isopropenyl acetate, 99%
    • WLN: 1VOY1 & U1
    • CAS-108-22-5
    • ACETONE-ENOL ACETATE
    • Isopropenylester kyseliny octove [Czech]
    • 2Acetoxypropene
    • 2acetoxypropylene
    • Propen2yl acetate
    • 1Propen2yl acetate
    • 1Methylvinyl acetate
    • MFCD00008709
    • 1Propen2ol, acetate
    • 1Acetoxy1methylethylene
    • SCHEMBL24573
    • CHEMBL1385681
    • NSC2197
    • NSC8262
    • CHEBI:173340
    • NSC-8262
    • Tox21_201748
    • Tox21_303350
    • AKOS000121059
    • FI11118
    • Isopropenyl acetate, analytical standard
    • NCGC00091671-01
    • NCGC00091671-02
    • NCGC00257444-01
    • NCGC00259297-01
    • LS-13048
    • DB-059717
    • A0035
    • NS00007489
    • EN300-15380
    • Isopropenyl acetate [UN2403] [Flammable liquid]
    • Q27259352
    • F0001-0160
    • Isopropenyl acetate, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (GC)
    • 203-562-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 596.69
    methanol 690.01
    isopropanol 438.39
    water 66.41
    ethyl acetate 470.05
    n-propanol 402.07
    acetone 805.77
    n-butanol 353.5
    acetonitrile 512.05
    DMF 1078.05
    toluene 165.48
    isobutanol 277.53
    1,4-dioxane 677.41
    methyl acetate 532.25
    THF 1005.77
    2-butanone 452.63
    n-pentanol 231.88
    sec-butanol 354.58
    n-hexane 83.02
    ethylene glycol 234.53
    NMP 1056.6
    cyclohexane 61.19
    DMSO 643.81
    n-butyl acetate 149.03
    n-octanol 148.4
    chloroform 329.25
    n-propyl acetate 188.6
    acetic acid 796.43
    dichloromethane 386.19
    cyclohexanone 449.16
    propylene glycol 254.91
    isopropyl acetate 247.67
    DMAc 994.96
    2-ethoxyethanol 412.23
    isopentanol 265.65
    n-heptane 32.33
    ethyl formate 337.55
    1,2-dichloroethane 249.52
    n-hexanol 203.48
    2-methoxyethanol 835.22
    isobutyl acetate 112.76
    tetrachloromethane 62.74
    n-pentyl acetate 121.59
    transcutol 779.33
    n-heptanol 82.46
    ethylbenzene 84.03
    MIBK 207.01
    2-propoxyethanol 439.4
    tert-butanol 500.17
    MTBE 373.58
    2-butoxyethanol 161.21
    propionic acid 399.96
    o-xylene 115.55
    formic acid 405.05
    diethyl ether 465.43
    m-xylene 137.18
    p-xylene 102.32
    chlorobenzene 155.06
    dimethyl carbonate 231.46
    n-octane 16.39
    formamide 393.32
    cyclopentanone 582.76
    2-pentanone 398.66
    anisole 217.35
    cyclopentyl methyl ether 490.27
    gamma-butyrolactone 752.14
    1-methoxy-2-propanol 602.74
    pyridine 314.08
    3-pentanone 297.41
    furfural 553.55
    n-dodecane 18.36
    diethylene glycol 361.31
    diisopropyl ether 128.05
    tert-amyl alcohol 377.15
    acetylacetone 469.34
    n-hexadecane 19.84
    acetophenone 178.54
    methyl propionate 408.04
    isopentyl acetate 124.93
    trichloroethylene 374.96
    n-nonanol 124.83
    cyclohexanol 307.88
    benzyl alcohol 159.19
    2-ethylhexanol 104.24
    isooctanol 64.8
    dipropyl ether 141.86
    1,2-dichlorobenzene 128.2
    ethyl lactate 120.13
    propylene carbonate 363.01
    n-methylformamide 529.92
    2-pentanol 257.03
    n-pentane 71.33
    1-propoxy-2-propanol 237.49
    1-methoxy-2-propyl acetate 227.72
    2-(2-methoxypropoxy) propanol 247.51
    mesitylene 80.84
    ε-caprolactone 455.71
    p-cymene 47.13
    epichlorohydrin 621.35
    1,1,1-trichloroethane 229.89
    2-aminoethanol 319.04
    morpholine-4-carbaldehyde 903.04
    sulfolane 677.59
    2,2,4-trimethylpentane 36.88
    2-methyltetrahydrofuran 707.75
    n-hexyl acetate 240.49
    isooctane 23.93
    2-(2-butoxyethoxy)ethanol 298.35
    sec-butyl acetate 133.56
    tert-butyl acetate 274.1
    decalin 39.64
    glycerin 359.51
    diglyme 434.2
    acrylic acid 347.46
    isopropyl myristate 99.09
    n-butyric acid 406.52
    acetyl acetate 302.96
    di(2-ethylhexyl) phthalate 94.38
    ethyl propionate 230.7
    nitromethane 1107.07
    1,2-diethoxyethane 214.66
    benzonitrile 170.92
    trioctyl phosphate 66.79
    1-bromopropane 186.78
    gamma-valerolactone 804.26
    n-decanol 92.06
    triethyl phosphate 75.59
    4-methyl-2-pentanol 130.21
    propionitrile 275.14
    vinylene carbonate 339.46
    1,1,2-trichlorotrifluoroethane 365.39
    DMS 232.92
    cumene 66.27
    2-octanol 75.08
    2-hexanone 201.79
    octyl acetate 131.99
    limonene 72.08
    1,2-dimethoxyethane 627.54
    ethyl orthosilicate 74.6
    tributyl phosphate 90.21
    diacetone alcohol 317.45
    N,N-dimethylaniline 160.33
    acrylonitrile 320.47
    aniline 190.22
    1,3-propanediol 399.78
    bromobenzene 125.89
    dibromomethane 245.33
    1,1,2,2-tetrachloroethane 265.71
    2-methyl-cyclohexyl acetate 115.48
    tetrabutyl urea 123.12
    diisobutyl methanol 58.52
    2-phenylethanol 135.69
    styrene 96.93
    dioctyl adipate 150.73
    dimethyl sulfate 343.02
    ethyl butyrate 130.46
    methyl lactate 230.27
    butyl lactate 97.29
    diethyl carbonate 95.47
    propanediol butyl ether 193.23
    triethyl orthoformate 97.58
    p-tert-butyltoluene 50.5
    methyl 4-tert-butylbenzoate 192.75
    morpholine 768.12
    tert-butylamine 283.85
    n-dodecanol 71.71
    dimethoxymethane 692.9
    ethylene carbonate 266.51
    cyrene 221.56
    2-ethoxyethyl acetate 195.39
    2-ethylhexyl acetate 101.58
    1,2,4-trichlorobenzene 166.07
    4-methylpyridine 410.57
    dibutyl ether 138.8
    2,6-dimethyl-4-heptanol 58.52
    DEF 466.14
    dimethyl isosorbide 376.22
    tetrachloroethylene 168.73
    eugenol 166.6
    triacetin 239.92
    span 80 194.85
    1,4-butanediol 163.96
    1,1-dichloroethane 272.83
    2-methyl-1-pentanol 193.28
    methyl formate 467.87
    2-methyl-1-butanol 269.84
    n-decane 27.64
    butyronitrile 281.07
    3,7-dimethyl-1-octanol 125.5
    1-chlorooctane 87.11
    1-chlorotetradecane 41.69
    n-nonane 28.29
    undecane 21.92
    tert-butylcyclohexane 45.48
    cyclooctane 27.34
    cyclopentanol 361.29
    tetrahydropyran 546.3
    tert-amyl methyl ether 310.42
    2,5,8-trioxanonane 363.02
    1-hexene 162.63
    2-isopropoxyethanol 262.14
    2,2,2-trifluoroethanol 273.56
    methyl butyrate 264.81

    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