3,4-Dimethyl-1-pentanol

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  • Identifiers

    CAS number
    6570-87-2

    Molecular formula
    C7H16O

    SMILES
    CC(C)C(C)CCO

  • Odor profile

    Green 63.47%
    Fruity 56.15%
    Fermented 56.02%
    Alcoholic 47.16%
    Floral 47.12%
    Oily 46.87%
    Ethereal 44.61%
    Herbal 42.33%
    Mint 35.71%
    Woody 35.34%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.29 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    166°C

    Flash point est.
    61.38 ˚C

  • Synonyms

    • 3,4-Dimethyl-1-pentanol
    • 3,4-dimethylpentan-1-ol
    • 6570-87-2
    • 1-Pentanol,3,4-dimethyl-
    • 1-Pentanol, 3,4-dimethyl-
    • Pentanol, 3,4-dimethyl
    • SCHEMBL450651
    • DTXSID50984245
    • AKOS006278012
    • E84836
    • EN300-1625222

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 437.8
    methanol 335.76
    isopropanol 434.16
    water 2.0
    ethyl acetate 161.09
    n-propanol 417.08
    acetone 163.17
    n-butanol 359.0
    acetonitrile 143.99
    DMF 127.24
    toluene 51.06
    isobutanol 287.97
    1,4-dioxane 382.99
    methyl acetate 174.35
    THF 557.4
    2-butanone 185.63
    n-pentanol 195.41
    sec-butanol 352.05
    n-hexane 53.99
    ethylene glycol 117.84
    NMP 193.1
    cyclohexane 65.61
    DMSO 215.49
    n-butyl acetate 255.74
    n-octanol 154.61
    chloroform 383.86
    n-propyl acetate 108.27
    acetic acid 254.55
    dichloromethane 206.23
    cyclohexanone 294.94
    propylene glycol 197.4
    isopropyl acetate 103.17
    DMAc 106.0
    2-ethoxyethanol 197.39
    isopentanol 270.66
    n-heptane 77.12
    ethyl formate 110.45
    1,2-dichloroethane 139.13
    n-hexanol 533.59
    2-methoxyethanol 360.74
    isobutyl acetate 79.08
    tetrachloromethane 138.12
    n-pentyl acetate 117.48
    transcutol 465.5
    n-heptanol 205.53
    ethylbenzene 41.26
    MIBK 91.06
    2-propoxyethanol 495.1
    tert-butanol 533.81
    MTBE 249.63
    2-butoxyethanol 259.41
    propionic acid 271.69
    o-xylene 51.48
    formic acid 85.15
    diethyl ether 157.38
    m-xylene 50.63
    p-xylene 53.38
    chlorobenzene 92.91
    dimethyl carbonate 26.79
    n-octane 25.04
    formamide 74.87
    cyclopentanone 336.71
    2-pentanone 127.3
    anisole 82.77
    cyclopentyl methyl ether 212.48
    gamma-butyrolactone 343.05
    1-methoxy-2-propanol 284.92
    pyridine 189.07
    3-pentanone 94.43
    furfural 249.04
    n-dodecane 15.43
    diethylene glycol 303.63
    diisopropyl ether 67.32
    tert-amyl alcohol 399.79
    acetylacetone 110.48
    n-hexadecane 16.89
    acetophenone 71.95
    methyl propionate 110.04
    isopentyl acetate 217.3
    trichloroethylene 279.83
    n-nonanol 134.25
    cyclohexanol 289.43
    benzyl alcohol 87.58
    2-ethylhexanol 271.77
    isooctanol 160.41
    dipropyl ether 206.31
    1,2-dichlorobenzene 92.78
    ethyl lactate 70.67
    propylene carbonate 171.64
    n-methylformamide 126.61
    2-pentanol 230.17
    n-pentane 47.15
    1-propoxy-2-propanol 401.13
    1-methoxy-2-propyl acetate 180.39
    2-(2-methoxypropoxy) propanol 161.89
    mesitylene 40.74
    ε-caprolactone 252.03
    p-cymene 66.17
    epichlorohydrin 280.02
    1,1,1-trichloroethane 228.14
    2-aminoethanol 259.54
    morpholine-4-carbaldehyde 230.25
    sulfolane 358.12
    2,2,4-trimethylpentane 31.3
    2-methyltetrahydrofuran 429.79
    n-hexyl acetate 164.58
    isooctane 29.47
    2-(2-butoxyethoxy)ethanol 243.31
    sec-butyl acetate 77.36
    tert-butyl acetate 126.07
    decalin 31.21
    glycerin 213.54
    diglyme 327.46
    acrylic acid 182.12
    isopropyl myristate 68.67
    n-butyric acid 354.98
    acetyl acetate 82.33
    di(2-ethylhexyl) phthalate 67.9
    ethyl propionate 85.91
    nitromethane 202.55
    1,2-diethoxyethane 159.46
    benzonitrile 117.86
    trioctyl phosphate 64.06
    1-bromopropane 136.45
    gamma-valerolactone 370.58
    n-decanol 100.23
    triethyl phosphate 65.8
    4-methyl-2-pentanol 140.9
    propionitrile 191.25
    vinylene carbonate 137.96
    1,1,2-trichlorotrifluoroethane 257.24
    DMS 78.14
    cumene 41.49
    2-octanol 124.2
    2-hexanone 119.37
    octyl acetate 89.31
    limonene 114.06
    1,2-dimethoxyethane 228.11
    ethyl orthosilicate 70.39
    tributyl phosphate 65.26
    diacetone alcohol 196.69
    N,N-dimethylaniline 56.09
    acrylonitrile 172.84
    aniline 112.12
    1,3-propanediol 334.33
    bromobenzene 82.53
    dibromomethane 180.03
    1,1,2,2-tetrachloroethane 277.32
    2-methyl-cyclohexyl acetate 128.49
    tetrabutyl urea 71.24
    diisobutyl methanol 144.5
    2-phenylethanol 157.17
    styrene 41.24
    dioctyl adipate 80.66
    dimethyl sulfate 50.89
    ethyl butyrate 145.12
    methyl lactate 85.72
    butyl lactate 118.09
    diethyl carbonate 81.34
    propanediol butyl ether 192.19
    triethyl orthoformate 114.45
    p-tert-butyltoluene 69.57
    methyl 4-tert-butylbenzoate 109.46
    morpholine 422.98
    tert-butylamine 364.71
    n-dodecanol 75.3
    dimethoxymethane 93.04
    ethylene carbonate 129.4
    cyrene 110.25
    2-ethoxyethyl acetate 125.53
    2-ethylhexyl acetate 165.08
    1,2,4-trichlorobenzene 113.98
    4-methylpyridine 151.99
    dibutyl ether 117.53
    2,6-dimethyl-4-heptanol 144.5
    DEF 110.92
    dimethyl isosorbide 233.53
    tetrachloroethylene 214.68
    eugenol 119.42
    triacetin 106.86
    span 80 194.51
    1,4-butanediol 113.91
    1,1-dichloroethane 207.9
    2-methyl-1-pentanol 156.74
    methyl formate 77.44
    2-methyl-1-butanol 243.29
    n-decane 26.96
    butyronitrile 201.64
    3,7-dimethyl-1-octanol 155.27
    1-chlorooctane 84.11
    1-chlorotetradecane 32.35
    n-nonane 28.07
    undecane 19.95
    tert-butylcyclohexane 39.84
    cyclooctane 23.82
    cyclopentanol 346.04
    tetrahydropyran 400.67
    tert-amyl methyl ether 159.22
    2,5,8-trioxanonane 226.3
    1-hexene 116.3
    2-isopropoxyethanol 165.03
    2,2,2-trifluoroethanol 89.44
    methyl butyrate 112.84

    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

Botanical

Name CAS Botanical Proportion
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 0.13%