3-Methyl-3-buten-1-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    763-32-6

    Molecular formula
    C5H10O

    SMILES
    CC(=C)CCO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 729.0
    • Carbowax: 1240.8

  • Odor profile

    Green 87.12%
    Fruity 82.39%
    Herbal 65.54%
    Sweet 65.13%
    Fresh 49.93%
    Earthy 41.83%
    Pungent 38.46%
    Vegetable 38.28%
    Oily 37.52%
    Musty 37.32%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.84 (weak base)

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 130.00 °C. @ 760.00 mm Hg

    Flash point est.
    38.67 ˚C

    Solubility expt.

    • 170 g/L @ 20 °C (exp)

  • Synonyms

    • 3-METHYL-3-BUTEN-1-OL
    • 3-Methylbut-3-en-1-ol
    • 763-32-6
    • Isoprenol
    • 3-Buten-1-ol, 3-methyl-
    • Isobutenylcarbinol
    • Methallylcarbinol
    • 2-Methyl-1-buten-4-ol
    • 3-Isopentenyl alcohol
    • Isopropenylethyl alcohol
    • 3-methyl-3-butenol
    • Methallyl carbinol
    • UNII-KJ25C8CPFA
    • KJ25C8CPFA
    • isopentenyl alcohol
    • EINECS 212-110-8
    • NSC 122673
    • DTXSID4052506
    • NSC-122673
    • Methyl-3-but-3-en-1-ol
    • 2-methyl-4-hydroxy-1-butene
    • 3-METHYLENEBUTAN-1-OL
    • DTXCID8031079
    • CHEBI:62898
    • EC 212-110-8
    • 4-HYDROXY-2-METHYL-1-BUTENE
    • 3-methyl-but-3-en-1-ol
    • 3Methyl3butenol
    • 2Methyl1buten4ol
    • 3Methylbut3en1ol
    • 3Methylbuten3ol1
    • 3Methylenebutan1ol
    • 3Isopentenyl alcohol
    • MFCD00002933
    • 3Buten1ol, 3methyl
    • 2Methyl4hydroxy1butene
    • 3-methyl-3-butene-1-ol
    • 3-methyl-3-butenyl alcohol
    • Delta(3)-isopentenyl alcohol
    • 2-methyl-4-hydroxybut-1-ene
    • 3-Methyl-3-buten-1-ol purum
    • CHEMBL3561140
    • 3-Methyl-3-buten-1-ol, 97%
    • Tox21_303733
    • BBL027415
    • LMFA05000107
    • NSC122673
    • STL146351
    • 3-Methyl-3-buten-1-ol, >=97%
    • AKOS005721136
    • RP10202
    • SB83771
    • NCGC00357042-01
    • CAS-763-32-6
    • DB-241114
    • CS-0204343
    • M0726
    • NS00002088
    • EN300-94630
    • Q408094

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 582.16
    methanol 771.71
    isopropanol 322.98
    water 41.95
    ethyl acetate 94.91
    n-propanol 382.86
    acetone 128.13
    n-butanol 329.29
    acetonitrile 109.23
    DMF 173.59
    toluene 10.33
    isobutanol 219.56
    1,4-dioxane 247.94
    methyl acetate 103.78
    THF 320.23
    2-butanone 110.58
    n-pentanol 153.38
    sec-butanol 265.12
    n-hexane 19.06
    ethylene glycol 263.11
    NMP 218.03
    cyclohexane 19.29
    DMSO 173.41
    n-butyl acetate 117.52
    n-octanol 111.3
    chloroform 84.88
    n-propyl acetate 63.24
    acetic acid 695.57
    dichloromethane 52.47
    cyclohexanone 162.47
    propylene glycol 307.57
    isopropyl acetate 49.87
    DMAc 133.38
    2-ethoxyethanol 220.29
    isopentanol 176.15
    n-heptane 38.17
    ethyl formate 75.79
    1,2-dichloroethane 35.15
    n-hexanol 293.81
    2-methoxyethanol 430.22
    isobutyl acetate 43.41
    tetrachloromethane 30.92
    n-pentyl acetate 59.33
    transcutol 525.6
    n-heptanol 127.94
    ethylbenzene 8.14
    MIBK 49.41
    2-propoxyethanol 351.63
    tert-butanol 298.72
    MTBE 99.48
    2-butoxyethanol 186.22
    propionic acid 342.69
    o-xylene 14.26
    formic acid 374.69
    diethyl ether 95.25
    m-xylene 13.62
    p-xylene 12.58
    chlorobenzene 24.08
    dimethyl carbonate 24.6
    n-octane 9.27
    formamide 216.87
    cyclopentanone 172.76
    2-pentanone 85.19
    anisole 37.48
    cyclopentyl methyl ether 120.32
    gamma-butyrolactone 210.32
    1-methoxy-2-propanol 254.73
    pyridine 75.27
    3-pentanone 62.84
    furfural 167.47
    n-dodecane 7.32
    diethylene glycol 309.28
    diisopropyl ether 28.98
    tert-amyl alcohol 232.17
    acetylacetone 72.28
    n-hexadecane 7.51
    acetophenone 39.98
    methyl propionate 73.7
    isopentyl acetate 88.56
    trichloroethylene 74.0
    n-nonanol 93.91
    cyclohexanol 198.35
    benzyl alcohol 51.73
    2-ethylhexanol 146.86
    isooctanol 86.91
    dipropyl ether 107.66
    1,2-dichlorobenzene 25.77
    ethyl lactate 53.78
    propylene carbonate 107.65
    n-methylformamide 155.63
    2-pentanol 175.12
    n-pentane 21.84
    1-propoxy-2-propanol 262.3
    1-methoxy-2-propyl acetate 100.82
    2-(2-methoxypropoxy) propanol 144.28
    mesitylene 11.72
    ε-caprolactone 149.36
    p-cymene 22.38
    epichlorohydrin 127.45
    1,1,1-trichloroethane 44.33
    2-aminoethanol 401.57
    morpholine-4-carbaldehyde 216.81
    sulfolane 204.17
    2,2,4-trimethylpentane 13.78
    2-methyltetrahydrofuran 219.17
    n-hexyl acetate 93.72
    isooctane 9.93
    2-(2-butoxyethoxy)ethanol 217.59
    sec-butyl acetate 38.99
    tert-butyl acetate 60.65
    decalin 8.53
    glycerin 375.65
    diglyme 255.64
    acrylic acid 273.77
    isopropyl myristate 39.13
    n-butyric acid 298.37
    acetyl acetate 58.82
    di(2-ethylhexyl) phthalate 49.3
    ethyl propionate 47.36
    nitromethane 297.49
    1,2-diethoxyethane 104.1
    benzonitrile 46.78
    trioctyl phosphate 39.54
    1-bromopropane 29.56
    gamma-valerolactone 235.14
    n-decanol 69.51
    triethyl phosphate 35.09
    4-methyl-2-pentanol 76.84
    propionitrile 90.4
    vinylene carbonate 82.78
    1,1,2-trichlorotrifluoroethane 187.4
    DMS 48.75
    cumene 10.96
    2-octanol 67.86
    2-hexanone 70.18
    octyl acetate 56.91
    limonene 44.05
    1,2-dimethoxyethane 171.8
    ethyl orthosilicate 38.4
    tributyl phosphate 45.26
    diacetone alcohol 123.86
    N,N-dimethylaniline 28.79
    acrylonitrile 87.63
    aniline 54.46
    1,3-propanediol 420.19
    bromobenzene 14.01
    dibromomethane 38.98
    1,1,2,2-tetrachloroethane 74.92
    2-methyl-cyclohexyl acetate 71.07
    tetrabutyl urea 55.88
    diisobutyl methanol 62.93
    2-phenylethanol 83.41
    styrene 9.25
    dioctyl adipate 60.72
    dimethyl sulfate 37.12
    ethyl butyrate 72.91
    methyl lactate 75.2
    butyl lactate 75.24
    diethyl carbonate 41.27
    propanediol butyl ether 172.1
    triethyl orthoformate 58.0
    p-tert-butyltoluene 23.46
    methyl 4-tert-butylbenzoate 73.7
    morpholine 319.11
    tert-butylamine 166.39
    n-dodecanol 52.44
    dimethoxymethane 90.42
    ethylene carbonate 73.89
    cyrene 103.48
    2-ethoxyethyl acetate 70.56
    2-ethylhexyl acetate 68.28
    1,2,4-trichlorobenzene 35.54
    4-methylpyridine 52.94
    dibutyl ether 64.91
    2,6-dimethyl-4-heptanol 62.93
    DEF 96.52
    dimethyl isosorbide 174.93
    tetrachloroethylene 69.4
    eugenol 87.18
    triacetin 84.28
    span 80 175.81
    1,4-butanediol 146.71
    1,1-dichloroethane 36.67
    2-methyl-1-pentanol 106.64
    methyl formate 88.29
    2-methyl-1-butanol 189.67
    n-decane 12.35
    butyronitrile 93.93
    3,7-dimethyl-1-octanol 92.82
    1-chlorooctane 35.75
    1-chlorotetradecane 15.98
    n-nonane 12.21
    undecane 9.16
    tert-butylcyclohexane 11.8
    cyclooctane 7.15
    cyclopentanol 238.03
    tetrahydropyran 195.2
    tert-amyl methyl ether 83.99
    2,5,8-trioxanonane 199.58
    1-hexene 39.57
    2-isopropoxyethanol 135.1
    2,2,2-trifluoroethanol 200.76
    methyl butyrate 63.69

    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
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Jonquil (France) flower headspace 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.5%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 9.6%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%