6-Methylheptan-3-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    18720-66-6

    Molecular formula
    C8H18O

    SMILES
    CCC(CCC(C)C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Oily 60.34%
    Floral 59.27%
    Herbal 48.28%
    Fermented 46.5%
    Green 46.29%
    Sweet 40.18%
    Fruity 38.6%
    Alcoholic 36.76%
    Mint 35.88%
    Woody 32.72%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.37 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    167°C

    Flash point est.
    63.91 ˚C

  • Synonyms

    • 6-Methylheptan-3-ol
    • 6-Methyl-3-heptanol
    • 18720-66-6
    • 3-Heptanol, 6-methyl-
    • EINECS 242-532-8
    • DTXSID50864851
    • 2-Methyl-5-heptanol
    • 3-Heptanol,6-methyl-
    • ETHYLISOPENTYLCARBINOL
    • SCHEMBL108677
    • MNBIBGDICHMQFN-UHFFFAOYSA-
    • DTXCID50813324
    • CHEBI:186745
    • 6-Methyl-3-heptanol, AldrichCPR
    • LMFA05000482
    • MFCD00046682
    • AKOS009157808
    • SB85086
    • DB-044636
    • CS-0215618
    • NS00048798
    • EN300-267007
    • Z838962512
    • InChI=1/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3
    • 242-532-8

  • Applications

    6-Methylheptan-3-ol (CAS 18720-66-6) is a branched C8 secondary alcohol valued as a versatile intermediate: it can be converted to esters and carbonates that serve as medium-volatility solvents, plasticizers, and lubricant additives; used as a precursor to surfactants (via ethoxylated/propoxylated derivatives) for detergents, coatings, and surface-treatment formulations; in paints-inks-adhesives, the neat alcohol or its esters act as co-solvents/coalescents to improve resin solvency, flow/leveling, and open time; in flavor and fragrance R&D, the alcohol and especially its esters are evaluated for green/fruity notes, with odor tuning influenced by branching and potential enantiomeric effects; in materials and life-science research it serves as a model hydrophobic alkanol to probe structure-property relationships (octanol/water partitioning, membrane interactions, surface tension) and as a GC standard/retention marker for resolving branched alcohol isomers; additionally, it is a building block for specialty chemicals, low-pour-point ester base oils, and metalworking-fluid additives, with final use determined by formulation needs, safety, and regulatory constraints.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 671.62
    methanol 393.14
    isopropanol 777.7
    water 0.48
    ethyl acetate 177.69
    n-propanol 619.19
    acetone 239.45
    n-butanol 671.61
    acetonitrile 183.99
    DMF 184.93
    toluene 118.3
    isobutanol 486.39
    1,4-dioxane 483.52
    methyl acetate 174.24
    THF 831.14
    2-butanone 272.66
    n-pentanol 433.62
    sec-butanol 667.05
    n-hexane 237.52
    ethylene glycol 95.57
    NMP 172.83
    cyclohexane 206.04
    DMSO 250.05
    n-butyl acetate 438.07
    n-octanol 327.36
    chloroform 680.71
    n-propyl acetate 169.03
    acetic acid 210.46
    dichloromethane 386.89
    cyclohexanone 380.76
    propylene glycol 243.69
    isopropyl acetate 136.55
    DMAc 156.02
    2-ethoxyethanol 292.62
    isopentanol 550.67
    n-heptane 296.37
    ethyl formate 134.47
    1,2-dichloroethane 210.35
    n-hexanol 941.87
    2-methoxyethanol 436.81
    isobutyl acetate 136.53
    tetrachloromethane 159.98
    n-pentyl acetate 197.05
    transcutol 678.83
    n-heptanol 397.16
    ethylbenzene 98.98
    MIBK 153.82
    2-propoxyethanol 625.76
    tert-butanol 893.38
    MTBE 457.19
    2-butoxyethanol 391.91
    propionic acid 244.77
    o-xylene 91.28
    formic acid 46.25
    diethyl ether 313.62
    m-xylene 95.05
    p-xylene 128.76
    chlorobenzene 140.27
    dimethyl carbonate 27.08
    n-octane 81.6
    formamide 45.14
    cyclopentanone 354.66
    2-pentanone 224.16
    anisole 145.1
    cyclopentyl methyl ether 312.38
    gamma-butyrolactone 280.87
    1-methoxy-2-propanol 420.88
    pyridine 292.35
    3-pentanone 129.09
    furfural 270.35
    n-dodecane 49.22
    diethylene glycol 310.79
    diisopropyl ether 122.46
    tert-amyl alcohol 652.1
    acetylacetone 138.38
    n-hexadecane 53.73
    acetophenone 116.69
    methyl propionate 112.58
    isopentyl acetate 398.76
    trichloroethylene 348.95
    n-nonanol 277.02
    cyclohexanol 462.55
    benzyl alcohol 147.32
    2-ethylhexanol 580.09
    isooctanol 302.69
    dipropyl ether 479.37
    1,2-dichlorobenzene 129.6
    ethyl lactate 96.82
    propylene carbonate 196.76
    n-methylformamide 108.65
    2-pentanol 454.54
    n-pentane 171.23
    1-propoxy-2-propanol 604.08
    1-methoxy-2-propyl acetate 236.26
    2-(2-methoxypropoxy) propanol 251.23
    mesitylene 74.51
    ε-caprolactone 311.23
    p-cymene 134.42
    epichlorohydrin 332.0
    1,1,1-trichloroethane 293.35
    2-aminoethanol 261.13
    morpholine-4-carbaldehyde 268.09
    sulfolane 285.8
    2,2,4-trimethylpentane 75.51
    2-methyltetrahydrofuran 623.33
    n-hexyl acetate 274.1
    isooctane 71.96
    2-(2-butoxyethoxy)ethanol 358.38
    sec-butyl acetate 127.49
    tert-butyl acetate 165.47
    decalin 85.72
    glycerin 211.13
    diglyme 490.62
    acrylic acid 148.32
    isopropyl myristate 130.14
    n-butyric acid 410.7
    acetyl acetate 82.74
    di(2-ethylhexyl) phthalate 117.26
    ethyl propionate 113.18
    nitromethane 157.42
    1,2-diethoxyethane 306.58
    benzonitrile 195.2
    trioctyl phosphate 110.01
    1-bromopropane 330.5
    gamma-valerolactone 395.03
    n-decanol 208.03
    triethyl phosphate 109.89
    4-methyl-2-pentanol 267.89
    propionitrile 273.38
    vinylene carbonate 154.47
    1,1,2-trichlorotrifluoroethane 268.71
    DMS 94.43
    cumene 87.87
    2-octanol 259.09
    2-hexanone 226.93
    octyl acetate 156.27
    limonene 240.3
    1,2-dimethoxyethane 430.41
    ethyl orthosilicate 122.17
    tributyl phosphate 117.7
    diacetone alcohol 241.64
    N,N-dimethylaniline 109.18
    acrylonitrile 202.56
    aniline 161.39
    1,3-propanediol 357.5
    bromobenzene 143.96
    dibromomethane 367.64
    1,1,2,2-tetrachloroethane 378.56
    2-methyl-cyclohexyl acetate 224.33
    tetrabutyl urea 135.59
    diisobutyl methanol 277.52
    2-phenylethanol 240.39
    styrene 105.54
    dioctyl adipate 159.83
    dimethyl sulfate 40.43
    ethyl butyrate 252.82
    methyl lactate 88.21
    butyl lactate 186.06
    diethyl carbonate 143.81
    propanediol butyl ether 336.93
    triethyl orthoformate 208.31
    p-tert-butyltoluene 139.54
    methyl 4-tert-butylbenzoate 158.98
    morpholine 626.28
    tert-butylamine 690.2
    n-dodecanol 162.41
    dimethoxymethane 139.32
    ethylene carbonate 144.37
    cyrene 156.38
    2-ethoxyethyl acetate 176.28
    2-ethylhexyl acetate 315.77
    1,2,4-trichlorobenzene 152.05
    4-methylpyridine 264.99
    dibutyl ether 309.71
    2,6-dimethyl-4-heptanol 277.52
    DEF 173.02
    dimethyl isosorbide 318.53
    tetrachloroethylene 246.14
    eugenol 166.28
    triacetin 167.61
    span 80 326.71
    1,4-butanediol 149.9
    1,1-dichloroethane 340.75
    2-methyl-1-pentanol 364.14
    methyl formate 65.96
    2-methyl-1-butanol 461.58
    n-decane 85.07
    butyronitrile 425.94
    3,7-dimethyl-1-octanol 316.32
    1-chlorooctane 185.22
    1-chlorotetradecane 77.34
    n-nonane 90.72
    undecane 62.55
    tert-butylcyclohexane 98.23
    cyclooctane 79.36
    cyclopentanol 462.04
    tetrahydropyran 696.55
    tert-amyl methyl ether 288.8
    2,5,8-trioxanonane 332.96
    1-hexene 415.75
    2-isopropoxyethanol 243.78
    2,2,2-trifluoroethanol 47.23
    methyl butyrate 180.07

    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
Ziziphora clinopodioides (Turkey) 2 Ziziphora clinopodioides Lam., fam. Lamiaceae (Labiatae) 0.36%
Satureja cuneifolia (Turkey) Satureja cuneifolia Ten. (S. pisidica Wettst.), fam. Lamiaceae (Labiatae) 0.02%
Ziziphora tenuior (Turkey) Ziziphora tenuior L.(Z.acutifolia Montbret & Aucher ex Bentham), Lamiaceae 0.05%
Micromeria myrtifolia (Turkey) Micromeria myrtifolia Boiss. et Hohen, fam. Lamiaceae (Labiatae) 0.01%
Calamintha nepeta (Turkey) 2 Calamintha nepeta (L.) Savi ssp. glandulosa (Req.) P.W.Ball, fam.Lamiaceae 1.68%
Thymus sibthorpii (Turkey) Thymus sibthorpii Bentham, fam. Lamiaceae (Labiatae) 0.13%
Origanum solymicum (Turkey) Origanum solymicum P.H. Davis, fam. Lamiaceae (Labiatae) 0.3%
Origanum syriacum (Turkey) 2 Origanum syriacum L. var. bevanii (Holmes) Ietswaart, fam. Lamiaceae 0.36%
Marjoram, sweet (Turkey) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.06%
Mentha haplocalyx (China) Mentha haplocalyx Briq., fam. Lamiaceae (Labiatae) 0.89%
Thymus syriacus (Turkey) Thymus syriacus Boiss., fam. Lamiaceae (Labiatae) 0.18%
Nepeta caesarea (Turkey) Nepeta caesarea Boiss, fam. Lamiaceae (Labiatae) 0.03%
Oregano, greek (Turkey) 2 84012-24-8 Origanum vulgare L. ssp. hirtum (Link) Ietsw., fam. Lamiaceae (Labiatae) 0.03%
Origanum rotundifolium (Turkey) Origanum rotundifolium Boiss., fam. Lamiaceae (Labiatae) 0.32%
Bergamot (Turkey) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Oregano, spanish (Turkey) 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.13%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.51%
Origanum micranthum (Turkey) Origanum micranthum Vogel, fam. Lamiaceae (Labiatae) 0.26%
Origanum bilgeri (Turkey) Origanum bilgeri P.H. Davis, fam. Lamiaceae (Labiatae) 0.15%
Calamintha incana (Turkey) Calamintha incana (Sm.) Boiss., fam. Lamiaceae (Labiatae) 1.42%
Salvia syriaca (Turkey) Salvia syriaca L., fam. Lamiaceae (Labiatea) 0.2%
Satureja spicigera (Turkey) Satureja spicigera (C. Koch) Boiss., fam. Lamiaceae (Labiatae) 0.15%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.1%
Lemon verbena (Turkey) Aloysia triphylla (L'Herit.) Britton, fam. Verbenaceae 0.1%
Perilla frutescens (China) 2a herb 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 0.1%
Perilla frutescens (China) 2b leaf 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 0.1%
Salvia aucheri (Turkey) 1a var. aucheri Salvia aucheri Benth. var. aucheri, fam. Lamiaceae (Labiatae) 0.01%
Salvia aucheri (Turkey) 1b var. canenscens Salvia aucheri Benth. var. canenscens, fam. Lamiaceae (Labiatae) 0.05%
Thyme (Cuba) 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.04%