2-Methyl-2-heptanol

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  • Identifiers

    CAS number
    625-25-2

    Molecular formula
    C8H18O

    SMILES
    CCCCCC(C)(C)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Floral 69.03%
    Citrus 61.41%
    Herbal 57.49%
    Fresh 57.11%
    Sweet 47.86%
    Fruity 46.38%
    Lemon 44.52%
    Woody 42.02%
    Rose 41.96%
    Oily 40.78%

     

    Flavor
    Floral 50.23%
    Green 48.16%
    Oily 37.64%
    Woody 35.14%
    Pungent 35.02%
    Lily 34.85%
    Earthy 32.35%
    Waxy 31.24%
    Sweet 31.2%
    Citrus 29.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    10.0 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    164°C

    Flash point

    • 58.99 ˚C est.

  • Synonyms

    • 2-METHYL-2-HEPTANOL
    • 2-Methylheptan-2-ol
    • 625-25-2
    • 2-Heptanol, 2-methyl-
    • MFCD00021845
    • 4VAR4CNL7V
    • NSC-898
    • NSC 898
    • EINECS 210-882-0
    • AI3-37268
    • NSC898
    • 2-methyl-heptan-2-ol
    • UNII-4VAR4CNL7V
    • 2-hydroxy-2-methyl-heptane
    • 1,1-DIMETHYLHEXANOL
    • SCHEMBL113305
    • SCHEMBL227551
    • 2-HEPTANOL,2-METHYL-
    • SCHEMBL1191524
    • SCHEMBL3166953
    • SCHEMBL9650717
    • SCHEMBL11025622
    • SCHEMBL27833343
    • DTXSID00211538
    • AKOS009157470
    • M0771
    • NS00035059
    • G77458
    • 625-25-2

  • Applications

    2-Methyl-2-heptanol can serve as an intermediate in organic synthesis, enabling the formation of esters and other functionalized products used in fragrance and specialty chemical applications; it may function as a solvent or co-solvent in industrial manufacturing, including coatings, inks, and cleaning formulations; in perfumery and cosmetics, it may act as a fragrance ingredient or as a precursor for aroma esters; it can be employed as a processing aid or reactive intermediate in polymer and plastics formulations; and its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1200.91
    methanol 1105.87
    isopropanol 1298.0
    water 2.6
    ethyl acetate 367.17
    n-propanol 1026.31
    acetone 477.72
    n-butanol 1138.8
    acetonitrile 335.74
    DMF 398.26
    toluene 188.24
    isobutanol 814.29
    1,4-dioxane 899.06
    methyl acetate 299.49
    THF 1434.9
    2-butanone 416.74
    n-pentanol 658.19
    sec-butanol 1041.34
    n-hexane 677.2
    ethylene glycol 224.27
    NMP 428.34
    cyclohexane 585.51
    DMSO 401.74
    n-butyl acetate 614.12
    n-octanol 666.09
    chloroform 911.78
    n-propyl acetate 256.09
    acetic acid 455.06
    dichloromethane 499.36
    cyclohexanone 680.09
    propylene glycol 507.39
    isopropyl acetate 281.65
    DMAc 350.09
    2-ethoxyethanol 490.39
    isopentanol 913.49
    n-heptane 841.44
    ethyl formate 226.95
    1,2-dichloroethane 272.36
    n-hexanol 1640.43
    2-methoxyethanol 873.75
    isobutyl acetate 207.68
    tetrachloromethane 247.95
    n-pentyl acetate 321.7
    transcutol 1222.39
    n-heptanol 669.45
    ethylbenzene 148.29
    MIBK 272.96
    2-propoxyethanol 1134.01
    tert-butanol 1433.78
    MTBE 811.65
    2-butoxyethanol 638.93
    propionic acid 458.15
    o-xylene 153.62
    formic acid 133.02
    diethyl ether 705.17
    m-xylene 161.95
    p-xylene 195.44
    chlorobenzene 183.43
    dimethyl carbonate 73.29
    n-octane 200.94
    formamide 114.19
    cyclopentanone 601.32
    2-pentanone 410.47
    anisole 218.76
    cyclopentyl methyl ether 647.87
    gamma-butyrolactone 500.45
    1-methoxy-2-propanol 800.76
    pyridine 379.33
    3-pentanone 278.41
    furfural 380.6
    n-dodecane 124.7
    diethylene glycol 619.29
    diisopropyl ether 285.89
    tert-amyl alcohol 1077.65
    acetylacetone 259.17
    n-hexadecane 131.37
    acetophenone 166.22
    methyl propionate 249.21
    isopentyl acetate 546.23
    trichloroethylene 431.74
    n-nonanol 552.38
    cyclohexanol 944.82
    benzyl alcohol 198.38
    2-ethylhexanol 976.86
    isooctanol 494.08
    dipropyl ether 901.98
    1,2-dichlorobenzene 168.34
    ethyl lactate 167.62
    propylene carbonate 325.28
    n-methylformamide 230.24
    2-pentanol 829.35
    n-pentane 509.09
    1-propoxy-2-propanol 1066.87
    1-methoxy-2-propyl acetate 417.22
    2-(2-methoxypropoxy) propanol 475.84
    mesitylene 135.02
    ε-caprolactone 542.85
    p-cymene 207.19
    epichlorohydrin 477.95
    1,1,1-trichloroethane 394.75
    2-aminoethanol 534.02
    morpholine-4-carbaldehyde 567.75
    sulfolane 507.79
    2,2,4-trimethylpentane 180.08
    2-methyltetrahydrofuran 1023.32
    n-hexyl acetate 576.07
    isooctane 152.92
    2-(2-butoxyethoxy)ethanol 672.01
    sec-butyl acetate 204.66
    tert-butyl acetate 344.14
    decalin 189.54
    glycerin 474.34
    diglyme 827.96
    acrylic acid 272.35
    isopropyl myristate 254.69
    n-butyric acid 722.85
    acetyl acetate 175.27
    di(2-ethylhexyl) phthalate 208.04
    ethyl propionate 218.14
    nitromethane 318.36
    1,2-diethoxyethane 496.93
    benzonitrile 238.68
    trioctyl phosphate 202.44
    1-bromopropane 455.67
    gamma-valerolactone 673.58
    n-decanol 406.09
    triethyl phosphate 175.18
    4-methyl-2-pentanol 457.64
    propionitrile 431.41
    vinylene carbonate 241.95
    1,1,2-trichlorotrifluoroethane 440.47
    DMS 194.03
    cumene 133.63
    2-octanol 444.58
    2-hexanone 351.84
    octyl acetate 315.78
    limonene 416.34
    1,2-dimethoxyethane 738.9
    ethyl orthosilicate 199.31
    tributyl phosphate 218.59
    diacetone alcohol 419.98
    N,N-dimethylaniline 186.49
    acrylonitrile 287.99
    aniline 253.25
    1,3-propanediol 666.47
    bromobenzene 180.77
    dibromomethane 480.07
    1,1,2,2-tetrachloroethane 484.52
    2-methyl-cyclohexyl acetate 361.39
    tetrabutyl urea 266.68
    diisobutyl methanol 434.98
    2-phenylethanol 349.62
    styrene 150.34
    dioctyl adipate 296.69
    dimethyl sulfate 97.12
    ethyl butyrate 360.46
    methyl lactate 195.22
    butyl lactate 313.45
    diethyl carbonate 202.78
    propanediol butyl ether 650.31
    triethyl orthoformate 326.21
    p-tert-butyltoluene 226.01
    methyl 4-tert-butylbenzoate 283.01
    morpholine 1125.0
    tert-butylamine 1203.0
    n-dodecanol 318.81
    dimethoxymethane 333.63
    ethylene carbonate 242.05
    cyrene 276.33
    2-ethoxyethyl acetate 277.12
    2-ethylhexyl acetate 458.68
    1,2,4-trichlorobenzene 199.66
    4-methylpyridine 366.78
    dibutyl ether 605.39
    2,6-dimethyl-4-heptanol 434.98
    DEF 359.98
    dimethyl isosorbide 558.49
    tetrachloroethylene 335.87
    eugenol 258.03
    triacetin 319.28
    span 80 646.47
    1,4-butanediol 264.18
    1,1-dichloroethane 412.18
    2-methyl-1-pentanol 523.67
    methyl formate 139.19
    2-methyl-1-butanol 784.73
    n-decane 218.06
    butyronitrile 613.38
    3,7-dimethyl-1-octanol 575.44
    1-chlorooctane 365.22
    1-chlorotetradecane 158.92
    n-nonane 245.47
    undecane 159.1
    tert-butylcyclohexane 208.41
    cyclooctane 221.47
    cyclopentanol 872.38
    tetrahydropyran 1223.03
    tert-amyl methyl ether 590.42
    2,5,8-trioxanonane 614.49
    1-hexene 820.32
    2-isopropoxyethanol 396.96
    2,2,2-trifluoroethanol 111.78
    methyl butyrate 287.47

    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