5-Methylheptan-3-ol

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  • Identifiers

    CAS number
    18720-65-5

    Molecular formula
    C8H18O

    SMILES
    CCC(C)CC(CC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 72.51%
    Floral 63.82%
    Oily 56.89%
    Green 54.61%
    Fermented 47.73%
    Herbal 41.45%
    Sweet 36.3%
    Alcoholic 34.2%
    Musty 33.18%
    Ethereal 32.48%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.37 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    165°C

    Flash point est.
    62.33 ˚C

  • Synonyms

    • 5-Methyl-3-heptanol
    • 5-Methylheptan-3-ol
    • 18720-65-5
    • 3-Heptanol, 5-methyl-
    • AI3-28629
    • EINECS 242-531-2
    • SECKOSOTZOBWEI-UHFFFAOYSA-
    • DTXSID90871286
    • 5-methyl-heptan-3-ol
    • 3-Heptanol,5-methyl-
    • SCHEMBL106138
    • DTXCID70818957
    • MFCD00021920
    • AKOS000249478
    • SB85074
    • AS-57191
    • CS-0333760
    • M1223
    • NS00048141
    • D91467
    • 242-531-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1768.28
    methanol 996.6
    isopropanol 2059.7
    water 0.61
    ethyl acetate 477.43
    n-propanol 1562.22
    acetone 740.4
    n-butanol 1540.17
    acetonitrile 632.13
    DMF 492.85
    toluene 237.16
    isobutanol 1259.03
    1,4-dioxane 1279.15
    methyl acetate 436.97
    THF 2070.6
    2-butanone 701.88
    n-pentanol 968.97
    sec-butanol 1579.79
    n-hexane 585.16
    ethylene glycol 170.99
    NMP 451.07
    cyclohexane 559.4
    DMSO 707.71
    n-butyl acetate 1048.85
    n-octanol 650.76
    chloroform 1618.98
    n-propyl acetate 426.32
    acetic acid 523.33
    dichloromethane 1068.89
    cyclohexanone 1022.1
    propylene glycol 425.94
    isopropyl acetate 333.21
    DMAc 308.61
    2-ethoxyethanol 572.18
    isopentanol 1215.79
    n-heptane 637.59
    ethyl formate 364.68
    1,2-dichloroethane 587.47
    n-hexanol 1918.5
    2-methoxyethanol 908.98
    isobutyl acetate 309.22
    tetrachloromethane 386.67
    n-pentyl acetate 437.21
    transcutol 1244.8
    n-heptanol 729.77
    ethylbenzene 186.97
    MIBK 371.57
    2-propoxyethanol 1236.73
    tert-butanol 2141.07
    MTBE 1227.01
    2-butoxyethanol 700.31
    propionic acid 587.87
    o-xylene 174.31
    formic acid 97.5
    diethyl ether 913.01
    m-xylene 186.67
    p-xylene 245.09
    chlorobenzene 336.83
    dimethyl carbonate 66.97
    n-octane 171.55
    formamide 102.65
    cyclopentanone 897.05
    2-pentanone 582.32
    anisole 292.15
    cyclopentyl methyl ether 762.51
    gamma-butyrolactone 752.69
    1-methoxy-2-propanol 819.44
    pyridine 699.62
    3-pentanone 327.78
    furfural 591.5
    n-dodecane 100.99
    diethylene glycol 543.19
    diisopropyl ether 325.15
    tert-amyl alcohol 1450.61
    acetylacetone 338.4
    n-hexadecane 110.15
    acetophenone 228.22
    methyl propionate 284.73
    isopentyl acetate 919.51
    trichloroethylene 871.37
    n-nonanol 532.86
    cyclohexanol 1132.65
    benzyl alcohol 282.94
    2-ethylhexanol 1144.81
    isooctanol 580.87
    dipropyl ether 1078.16
    1,2-dichlorobenzene 292.44
    ethyl lactate 182.29
    propylene carbonate 476.11
    n-methylformamide 291.27
    2-pentanol 1090.05
    n-pentane 439.65
    1-propoxy-2-propanol 1149.81
    1-methoxy-2-propyl acetate 479.68
    2-(2-methoxypropoxy) propanol 415.51
    mesitylene 146.04
    ε-caprolactone 772.88
    p-cymene 240.73
    epichlorohydrin 836.48
    1,1,1-trichloroethane 751.02
    2-aminoethanol 482.67
    morpholine-4-carbaldehyde 576.76
    sulfolane 748.11
    2,2,4-trimethylpentane 171.46
    2-methyltetrahydrofuran 1597.12
    n-hexyl acetate 610.23
    isooctane 167.04
    2-(2-butoxyethoxy)ethanol 620.44
    sec-butyl acetate 279.78
    tert-butyl acetate 369.06
    decalin 184.87
    glycerin 362.72
    diglyme 920.57
    acrylic acid 327.69
    isopropyl myristate 262.61
    n-butyric acid 1037.87
    acetyl acetate 197.92
    di(2-ethylhexyl) phthalate 207.22
    ethyl propionate 267.76
    nitromethane 460.73
    1,2-diethoxyethane 682.51
    benzonitrile 447.38
    trioctyl phosphate 206.03
    1-bromopropane 843.7
    gamma-valerolactone 945.21
    n-decanol 392.07
    triethyl phosphate 188.24
    4-methyl-2-pentanol 566.39
    propionitrile 756.16
    vinylene carbonate 358.65
    1,1,2-trichlorotrifluoroethane 535.25
    DMS 191.21
    cumene 161.76
    2-octanol 529.35
    2-hexanone 574.42
    octyl acetate 317.01
    limonene 493.47
    1,2-dimethoxyethane 988.54
    ethyl orthosilicate 210.77
    tributyl phosphate 216.7
    diacetone alcohol 478.81
    N,N-dimethylaniline 212.13
    acrylonitrile 524.13
    aniline 336.68
    1,3-propanediol 732.25
    bromobenzene 342.04
    dibromomethane 993.39
    1,1,2,2-tetrachloroethane 889.9
    2-methyl-cyclohexyl acetate 408.88
    tetrabutyl urea 250.49
    diisobutyl methanol 538.47
    2-phenylethanol 453.62
    styrene 210.56
    dioctyl adipate 291.33
    dimethyl sulfate 98.61
    ethyl butyrate 544.16
    methyl lactate 173.59
    butyl lactate 361.89
    diethyl carbonate 284.53
    propanediol butyl ether 591.66
    triethyl orthoformate 388.56
    p-tert-butyltoluene 244.74
    methyl 4-tert-butylbenzoate 294.28
    morpholine 1555.38
    tert-butylamine 1688.92
    n-dodecanol 303.96
    dimethoxymethane 342.91
    ethylene carbonate 348.33
    cyrene 267.19
    2-ethoxyethyl acetate 353.28
    2-ethylhexyl acetate 671.08
    1,2,4-trichlorobenzene 330.0
    4-methylpyridine 631.29
    dibutyl ether 717.66
    2,6-dimethyl-4-heptanol 538.47
    DEF 426.15
    dimethyl isosorbide 555.8
    tetrachloroethylene 581.22
    eugenol 291.39
    triacetin 307.17
    span 80 566.76
    1,4-butanediol 297.34
    1,1-dichloroethane 943.73
    2-methyl-1-pentanol 760.13
    methyl formate 179.25
    2-methyl-1-butanol 1097.69
    n-decane 179.78
    butyronitrile 1073.26
    3,7-dimethyl-1-octanol 616.21
    1-chlorooctane 414.73
    1-chlorotetradecane 161.39
    n-nonane 204.64
    undecane 129.64
    tert-butylcyclohexane 210.1
    cyclooctane 178.67
    cyclopentanol 1195.61
    tetrahydropyran 1881.69
    tert-amyl methyl ether 693.92
    2,5,8-trioxanonane 596.87
    1-hexene 1029.75
    2-isopropoxyethanol 485.43
    2,2,2-trifluoroethanol 108.34
    methyl butyrate 435.04

    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