2-Methyl-3-buten-2-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    115-18-4

    Molecular formula
    C5H10O

    SMILES
    CC(C)(C=C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1028.0

  • Odor profile

    Fruity 77.1%
    Herbal 62.42%
    Ethereal 52.54%
    Green 50.28%
    Earthy 47.1%
    Fermented 45.05%
    Pungent 41.57%
    Fresh 40.01%
    Camphoreous 37.67%
    Oily 37.11%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -28 °C

    Boiling point

    • 208.4 to 210.2 °F at 760 mmHg (USCG, 1999)
    • 97.00 to 99.00 °C. @ 760.00 mm Hg
    • 97 °C

    Flash point est.
    14.78 ˚C

    Flash point expt.

    • 56 °F (USCG, 1999)
    • 10 °C c.c.

    Solubility expt.

    • 1000 mg/mL
    • Solubility in water, g/100ml at 20 °C: 19 (good)

  • Synonyms

    • 2-METHYL-3-BUTEN-2-OL
    • 115-18-4
    • 2-Methylbut-3-en-2-ol
    • 3-Buten-2-ol, 2-methyl-
    • Methylbutenol
    • 3-Hydroxy-3-methylbutene
    • isoprenyl alcohol
    • 1,1-Dimethylallyl alcohol
    • 3-Hydroxy-3-methyl-1-butene
    • 3-Methyl-1-buten-3-ol
    • Dimethylvinylcarbinol
    • Dimethylvinylmethanol
    • Vinyldimethylcarbinol
    • 2-Methyl-3-butene-2-ol
    • 1,1-Dimethyl-2-propenol
    • 1,1-Dimethylallyl alchol
    • 2-Methyl-2-hydroxy-3-butene
    • 1,1-Dimethyl-2-propanol
    • 2-Methyl-3-buten-2-yl alcohol
    • alpha,alpha-Dimethylallyl alcohol
    • 3-Methyl-buten-(1)-ol-(3)
    • 3-Methyl-1-butene-3-ol
    • EINECS 204-068-4
    • CH2=CHC(CH3)2OH
    • UNII-SH64HE46L9
    • NSC 15977
    • 2-Methyl but-3-ene-2-ol
    • 1-Buten-3-ol, 3-methyl-
    • 3-hydroxy-3-methylbut-1-ene
    • BRN 1698263
    • SH64HE46L9
    • 1,1-Dimethyl-2-propen-1-ol
    • DTXSID3047471
    • AI3-23122
    • 1-dimethyl-2-propenol
    • 1-dimethylallyl alcohol
    • MFCD00004470
    • NSC-15977
    • 3-methylbut-1-en-3-ol
    • .alpha.,.alpha.-Dimethylallyl alcohol
    • 2-methyl-but-3-en-2-ol
    • DTXCID1027471
    • 1,1-Dimethyl-2-propenyl alcoho
    • 1,1-dimethyl-2-propenyl alcohol
    • CHEBI:132752
    • EC 204-068-4
    • 4-01-00-02132 (Beilstein Handbook Reference)
    • HYDROXY-3-METHYLBUTENE, 3-
    • dimethyl vinyl carbinol
    • 3-Methyl-buten-(1)-ol-(3) [German]
    • 2Methylbut3en2ol
    • 3Methyl1buten3ol
    • 2-vinyl-2-propanol
    • 3Hydroxy3methylbutene
    • 1Buten3ol, 3methyl
    • 3Buten2ol, 2methyl
    • 1,1Dimethyl2propenol
    • 2Methyl2hydroxy3butene
    • 3-methyl-buten-3-ol
    • 3-Butyn-2-ol, 2-methyl- (8CI,9CI)
    • 3Methylbuten(1)ol(3)
    • 1,1Dimethylallyl alcohol
    • 2Methyl3buten2yl alcohol
    • 2-methylbut-3-ene-2-ol
    • 3-methyl-but-1-en-3-ol
    • 1, 1-Dimethyl-2-propenol
    • 1, 1-Dimethylallyl alcohol
    • 3-methyl-3-hydroxybut-1-ene
    • alpha,alphaDimethylallyl alcohol
    • CHEMBL4245903
    • 2-Methyl-3-buten-2-ol, 98%
    • NSC15977
    • Tox21_303823
    • STL570064
    • 2-Methyl-3-buten-2-ol, >=98%
    • AKOS009156785
    • SB83756
    • NCGC00357265-01
    • 3-Butyn-2-ol, 2-methyl-(8CI,9CI)
    • CAS-115-18-4
    • FM158245
    • DB-060705
    • M0178
    • NS00003578
    • EN300-84043
    • C21402
    • Q209432

  • Applications

    2-Methyl-3-buten-2-ol (CAS 115-18-4) is a versatile tertiary allylic alcohol used across industry and research: it serves as an efficient precursor to isoprene via acid-catalyzed dehydration (relevant to synthetic rubber manufacture), as a building block to make 2‑methyl‑3‑buten‑2‑yl esters, carbonates, and ethers that act as prenylating agents and intermediates in pharmaceutical, flavor, and agrochemical synthesis; in catalysis it is employed in model reactions—especially selective dehydration on zeolites and acid–base oxides—to probe acidity/basicity and shape-selectivity; and in atmospheric chemistry it (often termed MBO) is a biogenic VOC emitted by certain North American pines, thus widely used as a standard and tracer in chamber studies and field campaigns to investigate OH/O3/NO3 oxidation kinetics, ozone and secondary organic aerosol formation, and to calibrate analytical instruments (GC–MS, PTR‑MS).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 468.13
    methanol 601.31
    isopropanol 378.04
    water 82.13
    ethyl acetate 155.45
    n-propanol 356.81
    acetone 180.16
    n-butanol 337.91
    acetonitrile 156.62
    DMF 290.67
    toluene 45.72
    isobutanol 241.52
    1,4-dioxane 208.7
    methyl acetate 171.0
    THF 291.8
    2-butanone 187.56
    n-pentanol 209.54
    sec-butanol 338.44
    n-hexane 66.98
    ethylene glycol 216.86
    NMP 239.83
    cyclohexane 34.41
    DMSO 148.36
    n-butyl acetate 95.52
    n-octanol 166.4
    chloroform 221.56
    n-propyl acetate 78.35
    acetic acid 286.85
    dichloromethane 134.94
    cyclohexanone 152.58
    propylene glycol 358.73
    isopropyl acetate 99.76
    DMAc 312.1
    2-ethoxyethanol 251.88
    isopentanol 223.73
    n-heptane 59.18
    ethyl formate 105.92
    1,2-dichloroethane 74.82
    n-hexanol 286.05
    2-methoxyethanol 440.89
    isobutyl acetate 58.24
    tetrachloromethane 85.68
    n-pentyl acetate 86.42
    transcutol 417.14
    n-heptanol 168.35
    ethylbenzene 33.12
    MIBK 89.57
    2-propoxyethanol 352.16
    tert-butanol 389.7
    MTBE 192.63
    2-butoxyethanol 226.46
    propionic acid 287.01
    o-xylene 48.97
    formic acid 206.13
    diethyl ether 173.97
    m-xylene 46.83
    p-xylene 43.17
    chlorobenzene 48.12
    dimethyl carbonate 60.33
    n-octane 24.65
    formamide 186.48
    cyclopentanone 187.43
    2-pentanone 143.58
    anisole 80.05
    cyclopentyl methyl ether 145.74
    gamma-butyrolactone 180.33
    1-methoxy-2-propanol 354.18
    pyridine 115.35
    3-pentanone 120.92
    furfural 152.4
    n-dodecane 17.51
    diethylene glycol 279.32
    diisopropyl ether 66.94
    tert-amyl alcohol 361.0
    acetylacetone 98.34
    n-hexadecane 17.57
    acetophenone 70.04
    methyl propionate 145.74
    isopentyl acetate 82.03
    trichloroethylene 119.54
    n-nonanol 141.46
    cyclohexanol 180.79
    benzyl alcohol 84.75
    2-ethylhexanol 143.86
    isooctanol 118.11
    dipropyl ether 124.83
    1,2-dichlorobenzene 44.1
    ethyl lactate 81.1
    propylene carbonate 106.98
    n-methylformamide 210.15
    2-pentanol 250.78
    n-pentane 66.5
    1-propoxy-2-propanol 247.67
    1-methoxy-2-propyl acetate 105.08
    2-(2-methoxypropoxy) propanol 160.77
    mesitylene 32.89
    ε-caprolactone 147.7
    p-cymene 37.14
    epichlorohydrin 150.11
    1,1,1-trichloroethane 106.24
    2-aminoethanol 365.23
    morpholine-4-carbaldehyde 239.08
    sulfolane 147.85
    2,2,4-trimethylpentane 39.53
    2-methyltetrahydrofuran 219.85
    n-hexyl acetate 134.38
    isooctane 24.68
    2-(2-butoxyethoxy)ethanol 222.85
    sec-butyl acetate 66.83
    tert-butyl acetate 100.27
    decalin 22.88
    glycerin 355.56
    diglyme 265.5
    acrylic acid 218.05
    isopropyl myristate 56.44
    n-butyric acid 270.39
    acetyl acetate 76.91
    di(2-ethylhexyl) phthalate 53.46
    ethyl propionate 87.19
    nitromethane 215.87
    1,2-diethoxyethane 120.02
    benzonitrile 65.26
    trioctyl phosphate 47.06
    1-bromopropane 84.83
    gamma-valerolactone 224.38
    n-decanol 103.42
    triethyl phosphate 46.85
    4-methyl-2-pentanol 134.3
    propionitrile 155.93
    vinylene carbonate 86.39
    1,1,2-trichlorotrifluoroethane 204.04
    DMS 66.5
    cumene 33.41
    2-octanol 108.76
    2-hexanone 100.39
    octyl acetate 78.96
    limonene 55.69
    1,2-dimethoxyethane 219.17
    ethyl orthosilicate 51.24
    tributyl phosphate 50.86
    diacetone alcohol 165.63
    N,N-dimethylaniline 71.75
    acrylonitrile 145.19
    aniline 108.01
    1,3-propanediol 335.13
    bromobenzene 34.08
    dibromomethane 105.83
    1,1,2,2-tetrachloroethane 129.15
    2-methyl-cyclohexyl acetate 72.59
    tetrabutyl urea 64.3
    diisobutyl methanol 73.51
    2-phenylethanol 97.96
    styrene 34.48
    dioctyl adipate 69.17
    dimethyl sulfate 68.57
    ethyl butyrate 81.78
    methyl lactate 137.08
    butyl lactate 91.83
    diethyl carbonate 50.86
    propanediol butyl ether 213.2
    triethyl orthoformate 70.01
    p-tert-butyltoluene 38.88
    methyl 4-tert-butylbenzoate 99.56
    morpholine 282.53
    tert-butylamine 271.07
    n-dodecanol 76.33
    dimethoxymethane 158.48
    ethylene carbonate 78.83
    cyrene 116.49
    2-ethoxyethyl acetate 92.45
    2-ethylhexyl acetate 68.22
    1,2,4-trichlorobenzene 57.88
    4-methylpyridine 110.29
    dibutyl ether 99.05
    2,6-dimethyl-4-heptanol 73.51
    DEF 170.44
    dimethyl isosorbide 153.55
    tetrachloroethylene 105.11
    eugenol 106.49
    triacetin 98.65
    span 80 172.97
    1,4-butanediol 153.3
    1,1-dichloroethane 119.71
    2-methyl-1-pentanol 170.81
    methyl formate 121.26
    2-methyl-1-butanol 239.47
    n-decane 31.56
    butyronitrile 142.99
    3,7-dimethyl-1-octanol 122.39
    1-chlorooctane 69.94
    1-chlorotetradecane 29.0
    n-nonane 31.8
    undecane 22.53
    tert-butylcyclohexane 31.45
    cyclooctane 18.06
    cyclopentanol 217.69
    tetrahydropyran 190.89
    tert-amyl methyl ether 166.06
    2,5,8-trioxanonane 191.53
    1-hexene 113.82
    2-isopropoxyethanol 175.07
    2,2,2-trifluoroethanol 143.78
    methyl butyrate 102.3

    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
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
St. John's wort (Italy) 1a oil 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 0.2%
St. John's wort (Italy) 1b headspace 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 1.5%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.4%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.04%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.1%
Lemon verbena (Turkey) Aloysia triphylla (L'Herit.) Britton, fam. Verbenaceae 0.09%
Verbena officinalis leaf (Morocco) Verbena officinalis L., fam. Verbenaceae 0.04%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%
Hexalobus monopetalus leaf Hexalobus monopetalus (A. Rich) Engl., fam. Annonaceae 0.7%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.01%
Mango (India) 1b cv. Bombay 90063-86-8 Mangifera indica L. cv. Bombay, fam. Anacardiaceae 1.1%
Bay, West Indian (Guadeloupe) 2a 8015-73-4 Pimenta racemosa var. racemosa (P. Miller) J.W. Moore, fam. Myrtaceae 0.01%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 5.3%