3-methyl-3-Pentanol

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  • Identifiers

    CAS number
    77-74-7

    Molecular formula
    C6H14O

    SMILES
    CCC(C)(CC)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1080.0

  • Odor profile

    Fruity 82.36%
    Green 62.16%
    Fermented 57.84%
    Ethereal 52.55%
    Earthy 47.83%
    Musty 44.08%
    Camphoreous 42.69%
    Alcoholic 40.85%
    Herbal 38.27%
    Solvent 38.0%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point est.
    28.91 ˚C

  • Synonyms

    • 3-METHYL-3-PENTANOL
    • 77-74-7
    • 3-Methylpentan-3-ol
    • 3-Pentanol, 3-methyl-
    • Methyldiethylcarbinol
    • Methyldiaethylcarbinol
    • Methyldiaethylcarbinol [German]
    • 3-Methyl-pentanol-(3)
    • 3-Methyl-pentanol-(3) [German]
    • EINECS 201-053-4
    • SR4551FEKB
    • NSC 75837
    • 2-ethyl-2-butanol
    • BRN 1731456
    • 3-methyl-pentan-3-ol
    • NSC-75837
    • DTXSID0021755
    • 3-HYDROXY-3-METHYLPENTANE
    • 3-METHYL-3-PENTYL ALCOHOL
    • 4-01-00-01723 (Beilstein Handbook Reference)
    • 1-ETHYL-1-METHYL-1-PROPANOL
    • Diethyl methyl carbinol
    • 3Methylpentan3ol
    • Diethylmethylcarbinol
    • 3Methylpentanol(3)
    • 3Pentanol, 3methyl
    • MFCD00004483
    • Methyl-3 pentanol-3
    • UNII-SR4551FEKB
    • SCHEMBL23931
    • 3-Methyl-3-pentanol, 99%
    • CHEMBL506184
    • DTXCID001755
    • FRDAATYAJDYRNW-UHFFFAOYSA-
    • NSC75837
    • LMFA05000537
    • 3-Methyl-3-pentanol, >=98%, FG
    • AKOS009158982
    • BS-22307
    • FM159432
    • DB-003415
    • M0387
    • NS00022781
    • EN300-75688
    • F16452
    • A839180
    • Q3278336
    • Z449374480
    • InChI=1/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
    • 201-053-4

  • Applications

    3‑Methyl‑3‑pentanol (CAS 77‑74‑7) is a branched tertiary alcohol used primarily as a medium‑polarity solvent and volatility‑control co‑solvent in coatings, inks, adhesives, and surface treatments; as an intermediate for esterification to make fragrant esters for flavor and fragrance applications, and to build tert‑hexyl derivatives (e.g., tert‑hexylphenols, resin and plasticizer additives); it also serves as an extraction/coupling solvent in organic separations and analysis, as a reference/matrix in chromatography, and as a proton source or selectivity modulator in certain laboratory‑scale organic reactions; additional uses include roles as a pharmaceutical/agrochemical intermediate, a component of industrial cleaning formulations, and in fuel‑additive research; appropriate chemical‑safety practices, good ventilation, and compliance with local regulations are required.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1090.36
    methanol 1193.5
    isopropanol 959.56
    water 8.12
    ethyl acetate 412.05
    n-propanol 917.6
    acetone 350.18
    n-butanol 942.18
    acetonitrile 355.01
    DMF 343.56
    toluene 146.95
    isobutanol 614.42
    1,4-dioxane 700.26
    methyl acetate 354.84
    THF 1111.9
    2-butanone 438.0
    n-pentanol 575.06
    sec-butanol 864.89
    n-hexane 385.43
    ethylene glycol 174.52
    NMP 439.83
    cyclohexane 245.25
    DMSO 294.13
    n-butyl acetate 429.3
    n-octanol 401.59
    chloroform 1005.81
    n-propyl acetate 243.84
    acetic acid 451.49
    dichloromethane 650.09
    cyclohexanone 526.38
    propylene glycol 310.48
    isopropyl acetate 265.88
    DMAc 371.77
    2-ethoxyethanol 511.58
    isopentanol 654.29
    n-heptane 319.98
    ethyl formate 266.88
    1,2-dichloroethane 325.98
    n-hexanol 902.46
    2-methoxyethanol 795.19
    isobutyl acetate 168.98
    tetrachloromethane 349.18
    n-pentyl acetate 319.68
    transcutol 1134.03
    n-heptanol 449.37
    ethylbenzene 113.92
    MIBK 220.86
    2-propoxyethanol 812.81
    tert-butanol 1003.94
    MTBE 680.06
    2-butoxyethanol 517.03
    propionic acid 465.52
    o-xylene 126.04
    formic acid 199.58
    diethyl ether 677.38
    m-xylene 113.19
    p-xylene 152.42
    chlorobenzene 199.52
    dimethyl carbonate 62.6
    n-octane 106.1
    formamide 202.06
    cyclopentanone 548.74
    2-pentanone 353.53
    anisole 202.71
    cyclopentyl methyl ether 497.68
    gamma-butyrolactone 523.55
    1-methoxy-2-propanol 609.41
    pyridine 347.24
    3-pentanone 277.69
    furfural 384.41
    n-dodecane 62.56
    diethylene glycol 465.18
    diisopropyl ether 228.7
    tert-amyl alcohol 912.41
    acetylacetone 227.04
    n-hexadecane 65.75
    acetophenone 158.64
    methyl propionate 265.17
    isopentyl acetate 341.83
    trichloroethylene 515.12
    n-nonanol 360.15
    cyclohexanol 588.79
    benzyl alcohol 189.18
    2-ethylhexanol 515.68
    isooctanol 344.35
    dipropyl ether 506.49
    1,2-dichlorobenzene 182.48
    ethyl lactate 143.09
    propylene carbonate 303.44
    n-methylformamide 283.3
    2-pentanol 637.92
    n-pentane 306.41
    1-propoxy-2-propanol 631.16
    1-methoxy-2-propyl acetate 292.86
    2-(2-methoxypropoxy) propanol 347.04
    mesitylene 86.02
    ε-caprolactone 492.43
    p-cymene 124.14
    epichlorohydrin 497.9
    1,1,1-trichloroethane 481.39
    2-aminoethanol 458.71
    morpholine-4-carbaldehyde 475.81
    sulfolane 444.08
    2,2,4-trimethylpentane 131.46
    2-methyltetrahydrofuran 870.91
    n-hexyl acetate 446.98
    isooctane 88.89
    2-(2-butoxyethoxy)ethanol 513.21
    sec-butyl acetate 197.37
    tert-butyl acetate 282.42
    decalin 109.75
    glycerin 319.41
    diglyme 682.58
    acrylic acid 296.38
    isopropyl myristate 177.21
    n-butyric acid 667.69
    acetyl acetate 186.35
    di(2-ethylhexyl) phthalate 136.96
    ethyl propionate 234.12
    nitromethane 338.38
    1,2-diethoxyethane 494.05
    benzonitrile 210.68
    trioctyl phosphate 126.48
    1-bromopropane 442.47
    gamma-valerolactone 575.05
    n-decanol 259.94
    triethyl phosphate 131.44
    4-methyl-2-pentanol 329.81
    propionitrile 446.09
    vinylene carbonate 228.15
    1,1,2-trichlorotrifluoroethane 405.98
    DMS 159.86
    cumene 105.31
    2-octanol 321.41
    2-hexanone 302.68
    octyl acetate 222.88
    limonene 215.61
    1,2-dimethoxyethane 632.33
    ethyl orthosilicate 156.5
    tributyl phosphate 148.65
    diacetone alcohol 326.26
    N,N-dimethylaniline 160.72
    acrylonitrile 333.93
    aniline 258.15
    1,3-propanediol 566.05
    bromobenzene 189.31
    dibromomethane 540.1
    1,1,2,2-tetrachloroethane 527.37
    2-methyl-cyclohexyl acetate 232.98
    tetrabutyl urea 159.51
    diisobutyl methanol 244.98
    2-phenylethanol 258.76
    styrene 124.57
    dioctyl adipate 193.93
    dimethyl sulfate 91.13
    ethyl butyrate 295.64
    methyl lactate 154.78
    butyl lactate 244.5
    diethyl carbonate 173.35
    propanediol butyl ether 396.28
    triethyl orthoformate 246.74
    p-tert-butyltoluene 128.41
    methyl 4-tert-butylbenzoate 219.38
    morpholine 856.14
    tert-butylamine 825.79
    n-dodecanol 194.19
    dimethoxymethane 264.73
    ethylene carbonate 226.91
    cyrene 208.34
    2-ethoxyethyl acetate 296.93
    2-ethylhexyl acetate 293.89
    1,2,4-trichlorobenzene 209.76
    4-methylpyridine 335.69
    dibutyl ether 421.29
    2,6-dimethyl-4-heptanol 244.98
    DEF 346.39
    dimethyl isosorbide 406.2
    tetrachloroethylene 409.21
    eugenol 211.93
    triacetin 243.09
    span 80 393.61
    1,4-butanediol 238.16
    1,1-dichloroethane 482.54
    2-methyl-1-pentanol 490.01
    methyl formate 156.74
    2-methyl-1-butanol 638.31
    n-decane 117.02
    butyronitrile 513.85
    3,7-dimethyl-1-octanol 358.68
    1-chlorooctane 247.71
    1-chlorotetradecane 102.8
    n-nonane 126.7
    undecane 81.94
    tert-butylcyclohexane 135.27
    cyclooctane 98.79
    cyclopentanol 632.75
    tetrahydropyran 837.73
    tert-amyl methyl ether 509.62
    2,5,8-trioxanonane 457.75
    1-hexene 522.23
    2-isopropoxyethanol 383.3
    2,2,2-trifluoroethanol 157.31
    methyl butyrate 286.78

    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
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.1%
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 8.7%