3-Penten-1-ol, 3-methyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1708-99-2

    Molecular formula
    C6H12O

    SMILES
    C/C=C(\C)/CCO

    Safety labels

  • Odor profile

    Fragrance
    Green 91.38%
    Fruity 79.38%
    Herbal 64.4%
    Floral 60.63%
    Fresh 54.75%
    Oily 51.89%
    Sweet 51.75%
    Earthy 47.9%
    Vegetable 44.72%
    Leafy 42.81%

     

    Flavor
    Green 75.5%
    Fruity 64.66%
    Sweet 46.52%
    Bitter 36.79%
    Earthy 35.65%
    Herbal 35.14%
    Fresh 34.31%
    Fruit 33.84%
    Herb 32.12%
    Ethereal 30.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.94 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    152°C

    Flash point

    • 51.33 ˚C est.

  • Synonyms

    • 3-Methyl-3-penten-1-ol
    • 1708-99-2
    • 3-Penten-1-ol, 3-methyl-
    • AI3-36182
    • EINECS 216-967-9
    • DTXSID5061900
    • RefChem:504731
    • DTXCID4035465
    • (E)-3-methylpent-3-en-1-ol
    • 3-Methylpent-3-en-1-ol
    • 3-methylpent-3-enol
    • SCHEMBL296530
    • SCHEMBL712160
    • (3E)-3-Methyl-3-penten-1-ol #
    • AKOS006274815
    • 1708-99-2

  • Applications

    3-Penten-1-ol, 3-methyl- is primarily used as an intermediate in chemical synthesis for fragrance and flavor compounds in the fragrance and flavor industries; it is also used in cosmetics and personal care as a fragrance precursor or formulation additive; in the polymers and plastics sector, it can function as a reactive monomer or intermediate for the synthesis of specialty polymers and resins; in coatings and inks, it can act as a reactive component in binder systems; and in general industrial manufacturing, it is commonly treated as a versatile intermediate to support synthesis workflows and tailor product properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1694.53
    methanol 1369.54
    isopropanol 1531.89
    water 14.07
    ethyl acetate 448.37
    n-propanol 1420.51
    acetone 664.46
    n-butanol 1185.81
    acetonitrile 619.24
    DMF 751.66
    toluene 130.23
    isobutanol 926.74
    1,4-dioxane 1192.87
    methyl acetate 496.8
    THF 1164.22
    2-butanone 561.92
    n-pentanol 586.03
    sec-butanol 1159.96
    n-hexane 109.45
    ethylene glycol 500.48
    NMP 532.88
    cyclohexane 130.27
    DMSO 802.01
    n-butyl acetate 315.38
    n-octanol 279.21
    chloroform 956.21
    n-propyl acetate 200.18
    acetic acid 876.94
    dichloromethane 562.21
    cyclohexanone 568.52
    propylene glycol 742.43
    isopropyl acetate 203.9
    DMAc 394.28
    2-ethoxyethanol 578.58
    isopentanol 717.66
    n-heptane 120.64
    ethyl formate 288.35
    1,2-dichloroethane 335.85
    n-hexanol 910.14
    2-methoxyethanol 1138.43
    isobutyl acetate 127.0
    tetrachloromethane 283.46
    n-pentyl acetate 169.41
    transcutol 1033.58
    n-heptanol 333.03
    ethylbenzene 69.56
    MIBK 184.31
    2-propoxyethanol 942.84
    tert-butanol 1328.85
    MTBE 565.55
    2-butoxyethanol 437.42
    propionic acid 822.36
    o-xylene 99.64
    formic acid 360.93
    diethyl ether 587.66
    m-xylene 105.64
    p-xylene 84.57
    chlorobenzene 180.11
    dimethyl carbonate 89.63
    n-octane 36.64
    formamide 331.4
    cyclopentanone 647.88
    2-pentanone 394.35
    anisole 176.25
    cyclopentyl methyl ether 463.71
    gamma-butyrolactone 667.76
    1-methoxy-2-propanol 837.67
    pyridine 500.71
    3-pentanone 254.56
    furfural 494.46
    n-dodecane 25.17
    diethylene glycol 679.88
    diisopropyl ether 132.42
    tert-amyl alcohol 900.35
    acetylacetone 263.82
    n-hexadecane 26.45
    acetophenone 130.91
    methyl propionate 310.6
    isopentyl acetate 227.07
    trichloroethylene 580.06
    n-nonanol 229.17
    cyclohexanol 707.2
    benzyl alcohol 198.28
    2-ethylhexanol 369.43
    isooctanol 237.08
    dipropyl ether 355.04
    1,2-dichlorobenzene 142.09
    ethyl lactate 129.54
    propylene carbonate 285.36
    n-methylformamide 525.53
    2-pentanol 712.74
    n-pentane 132.65
    1-propoxy-2-propanol 637.14
    1-methoxy-2-propyl acetate 248.46
    2-(2-methoxypropoxy) propanol 264.85
    mesitylene 67.52
    ε-caprolactone 453.24
    p-cymene 73.25
    epichlorohydrin 591.79
    1,1,1-trichloroethane 459.2
    2-aminoethanol 919.97
    morpholine-4-carbaldehyde 629.32
    sulfolane 610.95
    2,2,4-trimethylpentane 53.59
    2-methyltetrahydrofuran 930.78
    n-hexyl acetate 248.13
    isooctane 45.11
    2-(2-butoxyethoxy)ethanol 433.88
    sec-butyl acetate 123.42
    tert-butyl acetate 216.27
    decalin 45.66
    glycerin 691.02
    diglyme 621.27
    acrylic acid 599.66
    isopropyl myristate 97.41
    n-butyric acid 828.93
    acetyl acetate 188.12
    di(2-ethylhexyl) phthalate 90.71
    ethyl propionate 166.45
    nitromethane 746.83
    1,2-diethoxyethane 337.56
    benzonitrile 220.69
    trioctyl phosphate 85.25
    1-bromopropane 351.79
    gamma-valerolactone 759.27
    n-decanol 166.52
    triethyl phosphate 82.61
    4-methyl-2-pentanol 289.2
    propionitrile 551.92
    vinylene carbonate 267.68
    1,1,2-trichlorotrifluoroethane 513.54
    DMS 127.19
    cumene 58.6
    2-octanol 195.5
    2-hexanone 247.74
    octyl acetate 137.13
    limonene 142.71
    1,2-dimethoxyethane 604.43
    ethyl orthosilicate 89.14
    tributyl phosphate 86.67
    diacetone alcohol 371.29
    N,N-dimethylaniline 111.46
    acrylonitrile 518.58
    aniline 298.03
    1,3-propanediol 1034.1
    bromobenzene 150.89
    dibromomethane 459.72
    1,1,2,2-tetrachloroethane 514.25
    2-methyl-cyclohexyl acetate 139.88
    tetrabutyl urea 107.39
    diisobutyl methanol 167.71
    2-phenylethanol 247.66
    styrene 85.32
    dioctyl adipate 118.26
    dimethyl sulfate 141.62
    ethyl butyrate 198.8
    methyl lactate 214.3
    butyl lactate 162.48
    diethyl carbonate 110.26
    propanediol butyl ether 364.27
    triethyl orthoformate 143.0
    p-tert-butyltoluene 78.28
    methyl 4-tert-butylbenzoate 164.98
    morpholine 1315.86
    tert-butylamine 847.07
    n-dodecanol 125.07
    dimethoxymethane 378.09
    ethylene carbonate 235.48
    cyrene 182.72
    2-ethoxyethyl acetate 205.2
    2-ethylhexyl acetate 169.08
    1,2,4-trichlorobenzene 169.14
    4-methylpyridine 388.7
    dibutyl ether 204.4
    2,6-dimethyl-4-heptanol 167.71
    DEF 361.93
    dimethyl isosorbide 314.73
    tetrachloroethylene 395.66
    eugenol 187.86
    triacetin 169.37
    span 80 303.9
    1,4-butanediol 373.68
    1,1-dichloroethane 542.21
    2-methyl-1-pentanol 370.44
    methyl formate 281.39
    2-methyl-1-butanol 709.94
    n-decane 43.29
    butyronitrile 586.15
    3,7-dimethyl-1-octanol 224.57
    1-chlorooctane 130.66
    1-chlorotetradecane 51.11
    n-nonane 47.15
    undecane 31.34
    tert-butylcyclohexane 53.91
    cyclooctane 39.68
    cyclopentanol 846.26
    tetrahydropyran 1065.42
    tert-amyl methyl ether 334.85
    2,5,8-trioxanonane 409.55
    1-hexene 276.2
    2-isopropoxyethanol 391.76
    2,2,2-trifluoroethanol 259.8
    methyl butyrate 218.7

    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