Isoprenyl acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5205-07-2

    Molecular formula
    C7H12O2

    SMILES
    CC(=C)CCOC(=O)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 883.0

  • Odor profile

    Fruity 94.81%
    Green 85.34%
    Sweet 53.64%
    Banana 49.41%
    Apple 49.09%
    Tropical 45.21%
    Fresh 41.37%
    Ethereal 41.22%
    Herbal 35.64%
    Pineapple 35.55%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.77 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    151°C

    Flash point est.
    49.85 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents
    • soluble (in ethanol)

  • Synonyms

    • 3-Methyl-3-butenyl acetate
    • 3-methylbut-3-enyl acetate
    • 5205-07-2
    • isoprenyl acetate
    • 3-Buten-1-ol, 3-methyl-, acetate
    • 3-Buten-1-ol, 3-methyl-, 1-acetate
    • 3-methyl-3-buten-1-yl acetate
    • 3-Methyl-3-buten-1-ol, acetate
    • 1-Acetoxy-3-methyl-3-butene
    • Acetic acid, 3-methylbut-3-enyl ester
    • 3-methylbut-3-en-1-yl acetate
    • 962IG82H5B
    • FEMA NO. 3991
    • ISOPRENYL ACETATE [FHFI]
    • DTXSID30863504
    • EINECS 225-996-6
    • 3-METHYL-3-BUTEN-1-OL ACETATE
    • EC 225-996-6
    • 5205-02-7
    • UNII-962IG82H5B
    • SCHEMBL1269971
    • DTXCID40812109
    • CHEBI:173495
    • 3-Buten-1-ol,3-methyl-,acetate
    • 3-Methyl-3-buten- 1-yl acetate
    • AKOS024434217
    • NS00006306
    • Q27271850

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 775.81
    methanol 1091.06
    isopropanol 508.16
    water 55.43
    ethyl acetate 185.61
    n-propanol 380.1
    acetone 364.96
    n-butanol 349.04
    acetonitrile 316.88
    DMF 524.03
    toluene 44.78
    isobutanol 246.87
    1,4-dioxane 699.1
    methyl acetate 204.54
    THF 678.45
    2-butanone 180.37
    n-pentanol 194.2
    sec-butanol 301.41
    n-hexane 25.48
    ethylene glycol 262.41
    NMP 487.51
    cyclohexane 42.35
    DMSO 343.41
    n-butyl acetate 100.01
    n-octanol 155.1
    chloroform 440.94
    n-propyl acetate 95.95
    acetic acid 831.18
    dichloromethane 321.86
    cyclohexanone 314.68
    propylene glycol 372.3
    isopropyl acetate 99.33
    DMAc 448.94
    2-ethoxyethanol 320.37
    isopentanol 236.67
    n-heptane 20.81
    ethyl formate 164.99
    1,2-dichloroethane 136.17
    n-hexanol 202.8
    2-methoxyethanol 682.81
    isobutyl acetate 62.48
    tetrachloromethane 53.21
    n-pentyl acetate 82.08
    transcutol 916.73
    n-heptanol 98.11
    ethylbenzene 36.23
    MIBK 82.56
    2-propoxyethanol 333.24
    tert-butanol 488.74
    MTBE 163.08
    2-butoxyethanol 183.28
    propionic acid 381.36
    o-xylene 49.27
    formic acid 388.43
    diethyl ether 160.02
    m-xylene 40.66
    p-xylene 56.53
    chlorobenzene 74.69
    dimethyl carbonate 75.55
    n-octane 8.61
    formamide 392.03
    cyclopentanone 312.43
    2-pentanone 140.6
    anisole 124.55
    cyclopentyl methyl ether 202.21
    gamma-butyrolactone 386.2
    1-methoxy-2-propanol 436.73
    pyridine 220.45
    3-pentanone 100.41
    furfural 374.63
    n-dodecane 10.21
    diethylene glycol 321.92
    diisopropyl ether 42.58
    tert-amyl alcohol 320.84
    acetylacetone 173.17
    n-hexadecane 10.95
    acetophenone 109.66
    methyl propionate 144.13
    isopentyl acetate 89.55
    trichloroethylene 262.67
    n-nonanol 134.09
    cyclohexanol 311.55
    benzyl alcohol 127.69
    2-ethylhexanol 104.06
    isooctanol 70.98
    dipropyl ether 87.32
    1,2-dichlorobenzene 82.17
    ethyl lactate 94.41
    propylene carbonate 224.63
    n-methylformamide 312.39
    2-pentanol 189.56
    n-pentane 26.58
    1-propoxy-2-propanol 214.14
    1-methoxy-2-propyl acetate 125.49
    2-(2-methoxypropoxy) propanol 235.96
    mesitylene 28.48
    ε-caprolactone 291.42
    p-cymene 34.8
    epichlorohydrin 327.96
    1,1,1-trichloroethane 137.86
    2-aminoethanol 437.32
    morpholine-4-carbaldehyde 592.86
    sulfolane 352.34
    2,2,4-trimethylpentane 15.3
    2-methyltetrahydrofuran 367.76
    n-hexyl acetate 176.13
    isooctane 8.66
    2-(2-butoxyethoxy)ethanol 350.7
    sec-butyl acetate 64.51
    tert-butyl acetate 108.71
    decalin 19.55
    glycerin 427.86
    diglyme 464.48
    acrylic acid 324.12
    isopropyl myristate 69.01
    n-butyric acid 394.76
    acetyl acetate 137.91
    di(2-ethylhexyl) phthalate 82.4
    ethyl propionate 98.82
    nitromethane 648.3
    1,2-diethoxyethane 175.95
    benzonitrile 129.95
    trioctyl phosphate 59.3
    1-bromopropane 80.15
    gamma-valerolactone 526.13
    n-decanol 99.6
    triethyl phosphate 61.19
    4-methyl-2-pentanol 98.63
    propionitrile 175.23
    vinylene carbonate 212.63
    1,1,2-trichlorotrifluoroethane 342.43
    DMS 111.64
    cumene 34.67
    2-octanol 74.97
    2-hexanone 97.94
    octyl acetate 98.12
    limonene 58.81
    1,2-dimethoxyethane 439.59
    ethyl orthosilicate 59.22
    tributyl phosphate 72.76
    diacetone alcohol 197.56
    N,N-dimethylaniline 98.95
    acrylonitrile 204.8
    aniline 127.87
    1,3-propanediol 488.33
    bromobenzene 54.92
    dibromomethane 182.48
    1,1,2,2-tetrachloroethane 245.03
    2-methyl-cyclohexyl acetate 97.19
    tetrabutyl urea 95.23
    diisobutyl methanol 53.44
    2-phenylethanol 122.15
    styrene 43.04
    dioctyl adipate 114.92
    dimethyl sulfate 102.43
    ethyl butyrate 89.5
    methyl lactate 144.15
    butyl lactate 102.69
    diethyl carbonate 78.17
    propanediol butyl ether 262.1
    triethyl orthoformate 80.55
    p-tert-butyltoluene 35.03
    methyl 4-tert-butylbenzoate 133.38
    morpholine 734.16
    tert-butylamine 274.27
    n-dodecanol 73.43
    dimethoxymethane 273.63
    ethylene carbonate 175.18
    cyrene 182.36
    2-ethoxyethyl acetate 125.63
    2-ethylhexyl acetate 71.45
    1,2,4-trichlorobenzene 107.84
    4-methylpyridine 197.8
    dibutyl ether 116.06
    2,6-dimethyl-4-heptanol 53.44
    DEF 214.34
    dimethyl isosorbide 285.9
    tetrachloroethylene 153.79
    eugenol 140.58
    triacetin 180.36
    span 80 247.05
    1,4-butanediol 178.68
    1,1-dichloroethane 159.13
    2-methyl-1-pentanol 152.23
    methyl formate 215.0
    2-methyl-1-butanol 213.11
    n-decane 16.6
    butyronitrile 198.59
    3,7-dimethyl-1-octanol 119.42
    1-chlorooctane 52.83
    1-chlorotetradecane 25.07
    n-nonane 15.19
    undecane 12.56
    tert-butylcyclohexane 19.17
    cyclooctane 11.16
    cyclopentanol 317.96
    tetrahydropyran 402.01
    tert-amyl methyl ether 126.59
    2,5,8-trioxanonane 379.84
    1-hexene 69.3
    2-isopropoxyethanol 185.91
    2,2,2-trifluoroethanol 243.26
    methyl butyrate 135.52

    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
Jonquil (France) flower headspace 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.5%
Jasmine (China) 2a (headspace) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.88%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 6.2%