2,4,4-Trimethylpentan-1-ol

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  • Identifiers

    CAS number
    16325-63-6

    Molecular formula
    C8H18O

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Woody 52.19%
    Camphoreous 42.68%
    Fermented 40.13%
    Herbal 39.94%
    Oily 39.67%
    Green 37.86%
    Mint 36.84%
    Alcoholic 30.64%
    Fatty 29.66%
    Earthy 29.59%

     

    Flavor
    Green 60.71%
    Floral 45.18%
    Earthy 36.39%
    Fruity 33.03%
    Oily 32.4%
    Mild 28.09%
    Lily 26.38%
    Musty 26.31%
    Pungent 24.94%
    Tropical 23.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.31 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    171°C

    Flash point

    • 59.07 ˚C est.

  • Synonyms

    • 2,4,4-Trimethylpentan-1-ol
    • 2,4,4-Trimethyl-1-pentanol
    • 16325-63-6
    • 1-Pentanol, 2,4,4-trimethyl-
    • EINECS 240-403-0
    • ZNRVRWHPZZOTIE-UHFFFAOYSA-
    • DTXSID301311590
    • NSC 24283
    • RefChem:442710
    • DTXCID101020983
    • 240-403-0
    • InChI=1/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3
    • MFCD00004741
    • NSC 24283;
    • NSC24283
    • 1-Pentanol,4,4-trimethyl-
    • SCHEMBL195060
    • SCHEMBL195061
    • SCHEMBL5032447
    • SCHEMBL9638987
    • ALBB-025825
    • NSC-24283
    • SBB072702
    • 2,4,4-Trimethyl-1-pentanol, 98%
    • AKOS009156948
    • SB84344
    • FT133303
    • LS-08700
    • CS-0275754
    • NS00053618
    • ST45028970
    • H35277
    • EN300-1251153
    • 16325-63-6

  • Applications

    2,4,4-Trimethylpentan-1-ol is a branched C8 primary alcohol, commonly used as a solvent and processing aid in various industrial applications. In coatings, inks, and cleaning formulations, it acts as a solvent and carrier for other components. In cosmetics and personal care, it can function as a solvent or carrier in formulations. In chemical and polymer manufacturing, it serves as a starting material or building block for the synthesis of esters and other derivatives used in fragrance compounds or plastic additives. It may also act as a plasticizer-like or processing aid in certain polymer or adhesive formulations, depending on the formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 220.13
    methanol 274.64
    isopropanol 216.48
    water 2.03
    ethyl acetate 106.89
    n-propanol 211.53
    acetone 107.41
    n-butanol 222.49
    acetonitrile 73.81
    DMF 108.12
    toluene 65.71
    isobutanol 174.01
    1,4-dioxane 196.29
    methyl acetate 99.37
    THF 368.7
    2-butanone 123.88
    n-pentanol 136.74
    sec-butanol 200.93
    n-hexane 98.09
    ethylene glycol 83.85
    NMP 173.34
    cyclohexane 77.63
    DMSO 94.53
    n-butyl acetate 241.42
    n-octanol 210.66
    chloroform 262.11
    n-propyl acetate 89.58
    acetic acid 144.31
    dichloromethane 149.92
    cyclohexanone 198.55
    propylene glycol 133.5
    isopropyl acetate 102.03
    DMAc 117.19
    2-ethoxyethanol 145.71
    isopentanol 203.4
    n-heptane 149.11
    ethyl formate 71.56
    1,2-dichloroethane 105.02
    n-hexanol 451.4
    2-methoxyethanol 227.86
    isobutyl acetate 87.72
    tetrachloromethane 99.12
    n-pentyl acetate 128.56
    transcutol 406.9
    n-heptanol 221.06
    ethylbenzene 61.22
    MIBK 116.95
    2-propoxyethanol 419.67
    tert-butanol 313.76
    MTBE 255.37
    2-butoxyethanol 241.13
    propionic acid 139.05
    o-xylene 68.94
    formic acid 61.67
    diethyl ether 164.97
    m-xylene 80.64
    p-xylene 74.1
    chlorobenzene 79.11
    dimethyl carbonate 34.98
    n-octane 45.09
    formamide 34.87
    cyclopentanone 206.42
    2-pentanone 125.49
    anisole 101.46
    cyclopentyl methyl ether 211.28
    gamma-butyrolactone 191.62
    1-methoxy-2-propanol 214.23
    pyridine 99.15
    3-pentanone 94.48
    furfural 166.14
    n-dodecane 30.11
    diethylene glycol 245.7
    diisopropyl ether 106.02
    tert-amyl alcohol 285.4
    acetylacetone 101.1
    n-hexadecane 32.2
    acetophenone 84.0
    methyl propionate 88.22
    isopentyl acetate 244.11
    trichloroethylene 194.06
    n-nonanol 174.8
    cyclohexanol 195.41
    benzyl alcohol 79.4
    2-ethylhexanol 300.6
    isooctanol 181.39
    dipropyl ether 252.48
    1,2-dichlorobenzene 91.19
    ethyl lactate 76.87
    propylene carbonate 134.82
    n-methylformamide 70.41
    2-pentanol 182.54
    n-pentane 80.06
    1-propoxy-2-propanol 385.29
    1-methoxy-2-propyl acetate 210.45
    2-(2-methoxypropoxy) propanol 204.18
    mesitylene 71.47
    ε-caprolactone 181.81
    p-cymene 107.27
    epichlorohydrin 181.97
    1,1,1-trichloroethane 172.03
    2-aminoethanol 148.03
    morpholine-4-carbaldehyde 188.15
    sulfolane 227.71
    2,2,4-trimethylpentane 59.06
    2-methyltetrahydrofuran 275.44
    n-hexyl acetate 202.55
    isooctane 61.51
    2-(2-butoxyethoxy)ethanol 263.45
    sec-butyl acetate 85.25
    tert-butyl acetate 161.61
    decalin 51.97
    glycerin 153.96
    diglyme 322.96
    acrylic acid 104.61
    isopropyl myristate 102.22
    n-butyric acid 182.85
    acetyl acetate 68.4
    di(2-ethylhexyl) phthalate 101.98
    ethyl propionate 84.45
    nitromethane 96.32
    1,2-diethoxyethane 153.75
    benzonitrile 93.24
    trioctyl phosphate 93.27
    1-bromopropane 128.83
    gamma-valerolactone 243.18
    n-decanol 135.43
    triethyl phosphate 87.77
    4-methyl-2-pentanol 151.41
    propionitrile 110.54
    vinylene carbonate 108.02
    1,1,2-trichlorotrifluoroethane 180.8
    DMS 91.09
    cumene 65.68
    2-octanol 149.98
    2-hexanone 119.99
    octyl acetate 125.05
    limonene 166.05
    1,2-dimethoxyethane 186.0
    ethyl orthosilicate 100.21
    tributyl phosphate 94.33
    diacetone alcohol 193.83
    N,N-dimethylaniline 87.14
    acrylonitrile 90.93
    aniline 78.87
    1,3-propanediol 166.37
    bromobenzene 80.23
    dibromomethane 140.46
    1,1,2,2-tetrachloroethane 200.73
    2-methyl-cyclohexyl acetate 184.76
    tetrabutyl urea 105.27
    diisobutyl methanol 192.2
    2-phenylethanol 165.56
    styrene 56.29
    dioctyl adipate 117.47
    dimethyl sulfate 54.29
    ethyl butyrate 157.99
    methyl lactate 82.93
    butyl lactate 138.99
    diethyl carbonate 96.65
    propanediol butyl ether 232.68
    triethyl orthoformate 143.97
    p-tert-butyltoluene 120.0
    methyl 4-tert-butylbenzoate 156.64
    morpholine 223.17
    tert-butylamine 268.04
    n-dodecanol 107.25
    dimethoxymethane 100.41
    ethylene carbonate 92.31
    cyrene 149.39
    2-ethoxyethyl acetate 121.91
    2-ethylhexyl acetate 203.41
    1,2,4-trichlorobenzene 111.13
    4-methylpyridine 105.43
    dibutyl ether 152.03
    2,6-dimethyl-4-heptanol 192.2
    DEF 113.14
    dimethyl isosorbide 298.17
    tetrachloroethylene 145.55
    eugenol 153.09
    triacetin 137.49
    span 80 237.58
    1,4-butanediol 77.08
    1,1-dichloroethane 141.69
    2-methyl-1-pentanol 134.6
    methyl formate 53.73
    2-methyl-1-butanol 185.75
    n-decane 51.41
    butyronitrile 130.27
    3,7-dimethyl-1-octanol 210.52
    1-chlorooctane 123.84
    1-chlorotetradecane 55.57
    n-nonane 55.14
    undecane 38.02
    tert-butylcyclohexane 76.08
    cyclooctane 44.51
    cyclopentanol 189.1
    tetrahydropyran 229.81
    tert-amyl methyl ether 215.88
    2,5,8-trioxanonane 242.5
    1-hexene 146.46
    2-isopropoxyethanol 130.9
    2,2,2-trifluoroethanol 53.95
    methyl butyrate 102.86

    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