2-Methyl-3-penten-1-ol

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  • Identifiers

    CAS number
    62238-37-3

    Molecular formula
    C6H12O

    SMILES
    CC=CC(C)CO

    Safety labels

  • Odor profile

    Fragrance
    Green 79.21%
    Fruity 75.84%
    Fresh 49.57%
    Herbal 46.71%
    Oily 42.9%
    Sweet 38.27%
    Vegetable 37.88%
    Fermented 37.64%
    Earthy 35.52%
    Ethereal 34.42%

     

    Flavor
    Green 56.29%
    Fruity 36.92%
    Herbal 34.85%
    Bitter 32.61%
    Vegetable 32.21%
    Musty 31.73%
    Pungent 30.77%
    Ethereal 30.36%
    Sweet 29.64%
    Herb 29.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.61 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    145°C

    Flash point

    • 50.71 ˚C est.

  • Synonyms

    • 2-methyl-3-penten-1-ol
    • RefChem:1063718
    • 62238-37-3
    • SCHEMBL716527
    • SCHEMBL716528
    • SCHEMBL5153779
    • 62238-37-3

  • Applications

    2-Methyl-3-penten-1-ol (CAS 62238-37-3) serves as an odor-active fragrance component and starting material in perfumery, acts as an intermediate to synthesize aroma esters for flavors and cosmetics, and serves as a chemical building block for polymers and plastics (providing hydroxyl functionality for polyol-type formulations); in coatings and inks, it can act as a solvent or reactive diluent and participate in polymerization, and it may appear as a fragrance ingredient in cleaning products to impart scent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1624.7
    methanol 1745.68
    isopropanol 1326.84
    water 6.43
    ethyl acetate 423.2
    n-propanol 1240.55
    acetone 601.96
    n-butanol 1200.57
    acetonitrile 466.93
    DMF 496.87
    toluene 123.62
    isobutanol 851.62
    1,4-dioxane 855.33
    methyl acetate 393.92
    THF 1235.53
    2-butanone 485.64
    n-pentanol 628.95
    sec-butanol 951.08
    n-hexane 141.64
    ethylene glycol 341.27
    NMP 451.54
    cyclohexane 123.12
    DMSO 674.02
    n-butyl acetate 634.85
    n-octanol 289.73
    chloroform 838.77
    n-propyl acetate 315.92
    acetic acid 771.88
    dichloromethane 592.02
    cyclohexanone 574.5
    propylene glycol 439.84
    isopropyl acetate 233.09
    DMAc 258.44
    2-ethoxyethanol 574.79
    isopentanol 793.73
    n-heptane 157.14
    ethyl formate 320.67
    1,2-dichloroethane 360.39
    n-hexanol 1106.18
    2-methoxyethanol 976.81
    isobutyl acetate 211.0
    tetrachloromethane 272.63
    n-pentyl acetate 238.6
    transcutol 1100.65
    n-heptanol 382.19
    ethylbenzene 74.11
    MIBK 248.41
    2-propoxyethanol 1045.42
    tert-butanol 1277.93
    MTBE 693.42
    2-butoxyethanol 484.14
    propionic acid 625.98
    o-xylene 86.82
    formic acid 288.2
    diethyl ether 583.17
    m-xylene 104.85
    p-xylene 93.99
    chlorobenzene 194.37
    dimethyl carbonate 70.73
    n-octane 43.78
    formamide 233.78
    cyclopentanone 622.91
    2-pentanone 416.51
    anisole 174.4
    cyclopentyl methyl ether 508.33
    gamma-butyrolactone 642.67
    1-methoxy-2-propanol 669.27
    pyridine 392.04
    3-pentanone 226.6
    furfural 469.04
    n-dodecane 29.17
    diethylene glycol 646.74
    diisopropyl ether 169.84
    tert-amyl alcohol 832.88
    acetylacetone 268.26
    n-hexadecane 30.92
    acetophenone 142.92
    methyl propionate 254.18
    isopentyl acetate 477.51
    trichloroethylene 591.64
    n-nonanol 230.41
    cyclohexanol 617.28
    benzyl alcohol 187.65
    2-ethylhexanol 536.67
    isooctanol 284.86
    dipropyl ether 486.91
    1,2-dichlorobenzene 162.39
    ethyl lactate 140.18
    propylene carbonate 334.19
    n-methylformamide 392.22
    2-pentanol 710.2
    n-pentane 147.39
    1-propoxy-2-propanol 818.56
    1-methoxy-2-propyl acetate 342.81
    2-(2-methoxypropoxy) propanol 279.86
    mesitylene 76.01
    ε-caprolactone 471.6
    p-cymene 100.86
    epichlorohydrin 635.74
    1,1,1-trichloroethane 423.82
    2-aminoethanol 676.68
    morpholine-4-carbaldehyde 485.7
    sulfolane 639.94
    2,2,4-trimethylpentane 73.4
    2-methyltetrahydrofuran 968.23
    n-hexyl acetate 307.7
    isooctane 72.79
    2-(2-butoxyethoxy)ethanol 432.45
    sec-butyl acetate 183.44
    tert-butyl acetate 276.07
    decalin 54.3
    glycerin 447.33
    diglyme 656.06
    acrylic acid 425.57
    isopropyl myristate 123.51
    n-butyric acid 867.36
    acetyl acetate 170.84
    di(2-ethylhexyl) phthalate 113.77
    ethyl propionate 195.84
    nitromethane 551.67
    1,2-diethoxyethane 434.91
    benzonitrile 233.02
    trioctyl phosphate 107.15
    1-bromopropane 413.69
    gamma-valerolactone 634.72
    n-decanol 172.49
    triethyl phosphate 104.7
    4-methyl-2-pentanol 333.24
    propionitrile 461.02
    vinylene carbonate 275.15
    1,1,2-trichlorotrifluoroethane 470.83
    DMS 124.68
    cumene 70.55
    2-octanol 224.03
    2-hexanone 334.42
    octyl acetate 158.74
    limonene 189.48
    1,2-dimethoxyethane 675.6
    ethyl orthosilicate 124.48
    tributyl phosphate 115.12
    diacetone alcohol 376.34
    N,N-dimethylaniline 113.65
    acrylonitrile 390.33
    aniline 230.69
    1,3-propanediol 869.14
    bromobenzene 173.23
    dibromomethane 496.16
    1,1,2,2-tetrachloroethane 491.21
    2-methyl-cyclohexyl acetate 210.93
    tetrabutyl urea 127.46
    diisobutyl methanol 250.73
    2-phenylethanol 279.46
    styrene 92.96
    dioctyl adipate 142.42
    dimethyl sulfate 111.47
    ethyl butyrate 334.06
    methyl lactate 155.92
    butyl lactate 198.85
    diethyl carbonate 164.42
    propanediol butyl ether 387.46
    triethyl orthoformate 219.38
    p-tert-butyltoluene 100.1
    methyl 4-tert-butylbenzoate 175.04
    morpholine 982.07
    tert-butylamine 860.39
    n-dodecanol 133.85
    dimethoxymethane 325.22
    ethylene carbonate 240.04
    cyrene 208.7
    2-ethoxyethyl acetate 250.73
    2-ethylhexyl acetate 351.62
    1,2,4-trichlorobenzene 185.86
    4-methylpyridine 359.17
    dibutyl ether 262.39
    2,6-dimethyl-4-heptanol 250.73
    DEF 341.95
    dimethyl isosorbide 392.39
    tetrachloroethylene 390.63
    eugenol 199.48
    triacetin 184.73
    span 80 311.96
    1,4-butanediol 341.53
    1,1-dichloroethane 511.12
    2-methyl-1-pentanol 475.1
    methyl formate 244.5
    2-methyl-1-butanol 741.46
    n-decane 48.49
    butyronitrile 611.73
    3,7-dimethyl-1-octanol 268.92
    1-chlorooctane 155.16
    1-chlorotetradecane 60.0
    n-nonane 53.13
    undecane 35.69
    tert-butylcyclohexane 72.82
    cyclooctane 46.17
    cyclopentanol 732.05
    tetrahydropyran 953.33
    tert-amyl methyl ether 393.18
    2,5,8-trioxanonane 425.33
    1-hexene 346.23
    2-isopropoxyethanol 398.43
    2,2,2-trifluoroethanol 196.91
    methyl butyrate 300.66

    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