2,2,4-Trimethyl-3-penten-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5842-53-5

    Molecular formula
    C8H16O

    SMILES
    CC(=CC(C)(C)CO)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 58.83%
    Citrus 52.93%
    Woody 49.01%
    Green 44.83%
    Fresh 43.58%
    Camphoreous 43.0%
    Lemon 39.49%
    Floral 37.49%
    Mint 35.66%
    Earthy 34.31%

     

    Flavor
    Green 64.58%
    Sweet 43.97%
    Floral 41.93%
    Citrus 39.85%
    Woody 36.9%
    Fruity 36.73%
    Herbal 35.2%
    Earthy 34.97%
    Lavender 28.8%
    Pungent 27.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.96 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    169°C

    Flash point

    • 61.61 ˚C est.

  • Synonyms

    • 2,2,4-Trimethylpent-3-en-1-ol
    • 5842-53-5
    • DTXSID50207128
    • 2,2,4-Trimethyl-3-penten-1-ol
    • RefChem:1059018
    • DTXCID50129619
    • 227-432-4
    • 3-Penten-1-ol, 2,2,4-trimethyl-
    • AI3-28503
    • EINECS 227-432-4
    • SCHEMBL737161
    • 2,2,4-Trimethyl-3-penten-1-ol #
    • DB-260220
    • NS00046381
    • 5842-53-5

  • Applications

    2,2,4-Trimethyl-3-penten-1-ol is primarily used as a fragrance ingredient and a synthetic building block in perfumery, contributing characteristic notes and sometimes serving as a precursor for other aroma compounds. In cosmetics and personal care, it is used as a fragrance component in products such as creams, lotions, and cleaners. In household products, it is employed as a scent additive in detergents and surface cleaners to impart a lasting fragrance. In industrial manufacturing, it is commonly evaluated as an intermediate for synthesizing more complex fragrance molecules, esters, and related compounds. In coatings, inks, and adhesives, it may be included as a minor fragrance additive to achieve target odor profiles. Its use is subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 581.8
    methanol 723.38
    isopropanol 531.0
    water 7.18
    ethyl acetate 247.31
    n-propanol 537.97
    acetone 264.58
    n-butanol 596.75
    acetonitrile 203.22
    DMF 292.6
    toluene 161.44
    isobutanol 425.53
    1,4-dioxane 498.17
    methyl acetate 237.78
    THF 758.97
    2-butanone 283.69
    n-pentanol 361.93
    sec-butanol 508.92
    n-hexane 247.73
    ethylene glycol 197.8
    NMP 342.98
    cyclohexane 192.01
    DMSO 183.37
    n-butyl acetate 392.27
    n-octanol 381.82
    chloroform 631.74
    n-propyl acetate 180.1
    acetic acid 350.23
    dichloromethane 392.96
    cyclohexanone 402.26
    propylene glycol 292.9
    isopropyl acetate 204.0
    DMAc 267.76
    2-ethoxyethanol 374.43
    isopentanol 482.41
    n-heptane 284.42
    ethyl formate 184.53
    1,2-dichloroethane 246.86
    n-hexanol 875.96
    2-methoxyethanol 587.2
    isobutyl acetate 158.1
    tetrachloromethane 241.45
    n-pentyl acetate 237.34
    transcutol 777.88
    n-heptanol 407.49
    ethylbenzene 128.63
    MIBK 246.92
    2-propoxyethanol 810.53
    tert-butanol 718.48
    MTBE 543.28
    2-butoxyethanol 451.0
    propionic acid 309.77
    o-xylene 142.58
    formic acid 172.0
    diethyl ether 484.95
    m-xylene 169.25
    p-xylene 151.43
    chlorobenzene 168.54
    dimethyl carbonate 80.17
    n-octane 88.59
    formamide 99.96
    cyclopentanone 392.58
    2-pentanone 299.89
    anisole 214.47
    cyclopentyl methyl ether 468.44
    gamma-butyrolactone 368.34
    1-methoxy-2-propanol 496.51
    pyridine 226.76
    3-pentanone 214.55
    furfural 306.76
    n-dodecane 56.64
    diethylene glycol 486.24
    diisopropyl ether 235.0
    tert-amyl alcohol 623.44
    acetylacetone 199.37
    n-hexadecane 60.47
    acetophenone 162.45
    methyl propionate 199.17
    isopentyl acetate 377.79
    trichloroethylene 413.82
    n-nonanol 304.1
    cyclohexanol 448.8
    benzyl alcohol 173.53
    2-ethylhexanol 519.92
    isooctanol 307.27
    dipropyl ether 476.89
    1,2-dichlorobenzene 178.29
    ethyl lactate 142.18
    propylene carbonate 259.35
    n-methylformamide 179.55
    2-pentanol 474.14
    n-pentane 237.75
    1-propoxy-2-propanol 652.97
    1-methoxy-2-propyl acetate 323.27
    2-(2-methoxypropoxy) propanol 309.04
    mesitylene 139.19
    ε-caprolactone 361.05
    p-cymene 169.62
    epichlorohydrin 374.5
    1,1,1-trichloroethane 393.48
    2-aminoethanol 359.19
    morpholine-4-carbaldehyde 395.31
    sulfolane 393.96
    2,2,4-trimethylpentane 127.81
    2-methyltetrahydrofuran 602.49
    n-hexyl acetate 362.16
    isooctane 121.48
    2-(2-butoxyethoxy)ethanol 438.43
    sec-butyl acetate 160.55
    tert-butyl acetate 297.81
    decalin 100.23
    glycerin 325.24
    diglyme 597.73
    acrylic acid 235.32
    isopropyl myristate 164.17
    n-butyric acid 410.46
    acetyl acetate 139.23
    di(2-ethylhexyl) phthalate 146.55
    ethyl propionate 167.76
    nitromethane 248.23
    1,2-diethoxyethane 328.96
    benzonitrile 185.83
    trioctyl phosphate 140.77
    1-bromopropane 329.71
    gamma-valerolactone 444.39
    n-decanol 224.12
    triethyl phosphate 134.06
    4-methyl-2-pentanol 322.37
    propionitrile 245.17
    vinylene carbonate 217.75
    1,1,2-trichlorotrifluoroethane 343.1
    DMS 150.63
    cumene 120.87
    2-octanol 277.88
    2-hexanone 240.46
    octyl acetate 203.68
    limonene 272.38
    1,2-dimethoxyethane 458.06
    ethyl orthosilicate 158.7
    tributyl phosphate 146.15
    diacetone alcohol 355.2
    N,N-dimethylaniline 173.68
    acrylonitrile 205.65
    aniline 174.25
    1,3-propanediol 417.47
    bromobenzene 169.88
    dibromomethane 359.48
    1,1,2,2-tetrachloroethane 407.11
    2-methyl-cyclohexyl acetate 257.7
    tetrabutyl urea 165.47
    diisobutyl methanol 303.05
    2-phenylethanol 280.11
    styrene 127.32
    dioctyl adipate 178.83
    dimethyl sulfate 109.89
    ethyl butyrate 260.51
    methyl lactate 150.01
    butyl lactate 215.83
    diethyl carbonate 160.91
    propanediol butyl ether 401.9
    triethyl orthoformate 219.06
    p-tert-butyltoluene 188.58
    methyl 4-tert-butylbenzoate 248.52
    morpholine 554.29
    tert-butylamine 593.35
    n-dodecanol 172.64
    dimethoxymethane 281.46
    ethylene carbonate 187.72
    cyrene 243.53
    2-ethoxyethyl acetate 236.99
    2-ethylhexyl acetate 307.87
    1,2,4-trichlorobenzene 202.01
    4-methylpyridine 253.41
    dibutyl ether 301.57
    2,6-dimethyl-4-heptanol 303.05
    DEF 279.49
    dimethyl isosorbide 413.0
    tetrachloroethylene 298.61
    eugenol 247.83
    triacetin 211.79
    span 80 322.86
    1,4-butanediol 201.82
    1,1-dichloroethane 348.15
    2-methyl-1-pentanol 327.57
    methyl formate 140.79
    2-methyl-1-butanol 467.19
    n-decane 98.11
    butyronitrile 326.01
    3,7-dimethyl-1-octanol 343.4
    1-chlorooctane 229.55
    1-chlorotetradecane 96.63
    n-nonane 108.85
    undecane 70.74
    tert-butylcyclohexane 141.59
    cyclooctane 100.1
    cyclopentanol 401.95
    tetrahydropyran 578.77
    tert-amyl methyl ether 449.75
    2,5,8-trioxanonane 397.2
    1-hexene 358.8
    2-isopropoxyethanol 308.69
    2,2,2-trifluoroethanol 135.83
    methyl butyrate 207.39

    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