3-Methyl-1-penten-3-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    918-85-4

    Molecular formula
    C6H12O

    SMILES
    CCC(C)(C=C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 63.69%
    Green 59.79%
    Fresh 50.46%
    Herbal 48.73%
    Floral 46.66%
    Earthy 46.43%
    Sweet 42.73%
    Woody 33.36%
    Citrus 31.65%
    Lavender 30.12%

     

    Flavor
    Green 55.66%
    Fruity 43.99%
    Herbal 40.24%
    Oily 37.63%
    Woody 35.29%
    Tropical 34.96%
    Floral 34.91%
    Herb 33.62%
    Sweet 33.19%
    Earthy 32.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    9.72 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    114°C

    Flash point

    • 29.12 ˚C est.

  • Synonyms

    • 3-Methyl-1-penten-3-ol
    • 918-85-4
    • 1-PENTEN-3-OL, 3-METHYL-
    • DTXSID90870794
    • RefChem:94706
    • DTXCID60818486
    • 213-044-2
    • 3-Methylpent-1-en-3-ol
    • Ethylbutenol
    • Methylethylvinylcarbinol
    • 3-Methyl-penten-(1)-ol-(3)
    • NSC-128156
    • EINECS 213-044-2
    • NSC 128156
    • BRN 1361621
    • 3-Methyl-penten-(1)-ol-(3) [German]
    • AI3-25136
    • NSC128156
    • SMW4P4KW6T
    • ethyl methyl vinyl carbinol
    • 4-01-00-02147 (Beilstein Handbook Reference)
    • SCHEMBL123229
    • SCHEMBL714141
    • SCHEMBL1378362
    • SCHEMBL3337241
    • SCHEMBL11848899
    • CHEBI:88375
    • 3-Methyl-1-penten-3-ol, 99%
    • MFCD00004481
    • AKOS009157020
    • (.+/-.)-3-Methyl-1-penten-3-ol
    • NS00041614
    • F87391
    • Q27160219
    • 918-85-4

  • Applications

    3-Methyl-1-penten-3-ol (CAS 918-85-4) is used primarily as a fragrance intermediate and odorant in perfumery, contributing distinct notes to fragrance formulations. It is also employed in cosmetics and personal care products as a scent component, helping to build or adjust fragrance profiles. In household products, it can function as a fragrance additive in cleaners, detergents, and air-care products to enhance odor characteristics. Beyond fragrance roles, it is often evaluated as an organic synthesis intermediate in industrial manufacturing, serving as a building block for more complex specialty chemicals or as a precursor in aroma-related chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 825.21
    methanol 980.29
    isopropanol 597.59
    water 13.55
    ethyl acetate 259.88
    n-propanol 600.3
    acetone 201.0
    n-butanol 614.14
    acetonitrile 200.58
    DMF 247.31
    toluene 78.12
    isobutanol 406.71
    1,4-dioxane 506.11
    methyl acetate 221.26
    THF 675.14
    2-butanone 253.67
    n-pentanol 428.51
    sec-butanol 552.51
    n-hexane 156.4
    ethylene glycol 153.36
    NMP 243.15
    cyclohexane 92.87
    DMSO 185.42
    n-butyl acetate 241.05
    n-octanol 255.1
    chloroform 383.22
    n-propyl acetate 147.62
    acetic acid 300.03
    dichloromethane 269.83
    cyclohexanone 282.82
    propylene glycol 234.2
    isopropyl acetate 171.16
    DMAc 266.58
    2-ethoxyethanol 420.46
    isopentanol 459.19
    n-heptane 128.77
    ethyl formate 165.45
    1,2-dichloroethane 152.18
    n-hexanol 597.85
    2-methoxyethanol 601.86
    isobutyl acetate 103.11
    tetrachloromethane 136.39
    n-pentyl acetate 171.77
    transcutol 888.5
    n-heptanol 274.31
    ethylbenzene 58.09
    MIBK 159.15
    2-propoxyethanol 575.64
    tert-butanol 629.02
    MTBE 425.54
    2-butoxyethanol 327.73
    propionic acid 296.12
    o-xylene 75.56
    formic acid 175.63
    diethyl ether 418.79
    m-xylene 73.02
    p-xylene 76.21
    chlorobenzene 94.93
    dimethyl carbonate 44.46
    n-octane 47.33
    formamide 165.88
    cyclopentanone 268.11
    2-pentanone 227.85
    anisole 134.88
    cyclopentyl methyl ether 301.73
    gamma-butyrolactone 251.3
    1-methoxy-2-propanol 435.68
    pyridine 189.59
    3-pentanone 162.07
    furfural 223.39
    n-dodecane 30.06
    diethylene glycol 365.19
    diisopropyl ether 150.08
    tert-amyl alcohol 596.65
    acetylacetone 148.1
    n-hexadecane 31.01
    acetophenone 100.28
    methyl propionate 167.78
    isopentyl acetate 194.85
    trichloroethylene 217.01
    n-nonanol 222.37
    cyclohexanol 342.47
    benzyl alcohol 127.34
    2-ethylhexanol 307.75
    isooctanol 211.54
    dipropyl ether 270.49
    1,2-dichlorobenzene 84.2
    ethyl lactate 91.53
    propylene carbonate 157.56
    n-methylformamide 188.3
    2-pentanol 418.6
    n-pentane 137.5
    1-propoxy-2-propanol 400.08
    1-methoxy-2-propyl acetate 192.45
    2-(2-methoxypropoxy) propanol 241.88
    mesitylene 56.77
    ε-caprolactone 269.01
    p-cymene 66.81
    epichlorohydrin 271.37
    1,1,1-trichloroethane 184.55
    2-aminoethanol 363.35
    morpholine-4-carbaldehyde 332.01
    sulfolane 210.7
    2,2,4-trimethylpentane 71.15
    2-methyltetrahydrofuran 519.28
    n-hexyl acetate 248.77
    isooctane 52.52
    2-(2-butoxyethoxy)ethanol 362.23
    sec-butyl acetate 125.12
    tert-butyl acetate 197.21
    decalin 50.37
    glycerin 252.87
    diglyme 463.32
    acrylic acid 182.25
    isopropyl myristate 99.58
    n-butyric acid 401.67
    acetyl acetate 105.9
    di(2-ethylhexyl) phthalate 84.01
    ethyl propionate 131.99
    nitromethane 207.58
    1,2-diethoxyethane 335.64
    benzonitrile 118.29
    trioctyl phosphate 73.62
    1-bromopropane 201.27
    gamma-valerolactone 349.88
    n-decanol 163.21
    triethyl phosphate 72.91
    4-methyl-2-pentanol 239.21
    propionitrile 234.57
    vinylene carbonate 119.96
    1,1,2-trichlorotrifluoroethane 216.22
    DMS 95.5
    cumene 60.17
    2-octanol 188.83
    2-hexanone 189.97
    octyl acetate 125.05
    limonene 111.19
    1,2-dimethoxyethane 441.62
    ethyl orthosilicate 89.87
    tributyl phosphate 85.16
    diacetone alcohol 243.03
    N,N-dimethylaniline 104.85
    acrylonitrile 179.56
    aniline 156.67
    1,3-propanediol 432.74
    bromobenzene 78.26
    dibromomethane 214.06
    1,1,2,2-tetrachloroethane 210.86
    2-methyl-cyclohexyl acetate 138.98
    tetrabutyl urea 93.88
    diisobutyl methanol 149.41
    2-phenylethanol 175.32
    styrene 64.17
    dioctyl adipate 111.72
    dimethyl sulfate 59.17
    ethyl butyrate 172.05
    methyl lactate 109.53
    butyl lactate 138.16
    diethyl carbonate 94.52
    propanediol butyl ether 266.85
    triethyl orthoformate 142.28
    p-tert-butyltoluene 69.64
    methyl 4-tert-butylbenzoate 132.4
    morpholine 601.74
    tert-butylamine 478.8
    n-dodecanol 122.05
    dimethoxymethane 207.7
    ethylene carbonate 121.15
    cyrene 151.01
    2-ethoxyethyl acetate 183.96
    2-ethylhexyl acetate 165.47
    1,2,4-trichlorobenzene 101.08
    4-methylpyridine 190.73
    dibutyl ether 215.31
    2,6-dimethyl-4-heptanol 149.41
    DEF 231.18
    dimethyl isosorbide 279.4
    tetrachloroethylene 174.72
    eugenol 141.77
    triacetin 149.41
    span 80 253.17
    1,4-butanediol 188.27
    1,1-dichloroethane 206.7
    2-methyl-1-pentanol 381.3
    methyl formate 101.34
    2-methyl-1-butanol 447.8
    n-decane 55.28
    butyronitrile 273.56
    3,7-dimethyl-1-octanol 222.47
    1-chlorooctane 128.36
    1-chlorotetradecane 53.37
    n-nonane 57.97
    undecane 39.02
    tert-butylcyclohexane 67.0
    cyclooctane 42.66
    cyclopentanol 359.36
    tetrahydropyran 491.4
    tert-amyl methyl ether 332.95
    2,5,8-trioxanonane 334.18
    1-hexene 262.45
    2-isopropoxyethanol 291.71
    2,2,2-trifluoroethanol 99.85
    methyl butyrate 168.23

    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