Tert-Butyl Alcohol

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  • Identifiers

    CAS number
    75-65-0

    Molecular formula
    C4H10O

    SMILES
    CC(C)(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 830.0

  • Odor profile

    Fragrance
    Ethereal 69.91%
    Camphoreous 66.12%
    Fermented 61.28%
    Solvent 58.03%
    Alcoholic 51.85%
    Mint 51.08%
    Musty 44.34%
    Pungent 39.38%
    Sweaty 36.43%
    Gassy 33.95%

     

    Flavor
    Pungent 56.37%
    Ethereal 25.81%
    Oily 24.14%
    Solvent 22.23%
    Camphor 21.3%
    Black currant 18.49%
    Catty 18.18%
    Terpenic 18.05%
    Rotten 17.88%
    Bitter 17.83%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 3.3 [mmHg]. Odor Threshold High: 957.0 [mmHg]. Detection odor threshold from AIHA (mean = 960 ppm)
    • Odor threshold 219 mg/cu m (odor low) 219 mg/cu m (odor high)

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    11.0 (strong base)

    Molecular weight
    74.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 77.9 °F (NTP, 1992)
    • 25.81 °C
    • 25.4 °C
    • 25 °C
    • 78 °F

    Boiling point

    • 180 °F at 760 mmHg (NTP, 1992)
    • 82.3 °C
    • 82.40 °C. @ 760.00 mm Hg
    • 83 °C
    • 180 °F

    Flash point

    • 3.07 ˚C est.
    • 52 °F (NTP, 1992)
    • 11 °C
    • 52 °F (11 °C) (Closed cup)
    • 11 °C c.c.
    • 52 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
    • In water, 1X10+6 mg/L at 25 °C /Miscible/
    • Miscible with ethanol, ethyl ether; soluble in chloroform
    • 1000 mg/mL at 25 °C
    • Solubility in water: miscible
    • Miscible

  • Synonyms

    • tert-Butanol
    • tert-Butyl alcohol
    • 2-Methylpropan-2-ol
    • 75-65-0
    • 2-Methyl-2-propanol
    • t-Butanol
    • T-BUTYL ALCOHOL
    • Trimethylcarbinol
    • 1,1-Dimethylethanol
    • t-Butyl hydroxide
    • Trimethyl carbinol
    • Trimethyl methanol
    • 2-Propanol, 2-methyl-
    • Tertiary-Butyl Alcohol
    • tert- butyl alcohol
    • Trimethylmethanol
    • tert-butylalcohol
    • Dimethylethanol
    • tertiary-Butanol
    • Butanol tertiaire
    • tertiary butanol
    • tertiary Butyl Alcohol
    • Alcool butylique tertiaire
    • Methanol, trimethyl-
    • tert Butanol
    • Caswell No. 124A
    • tert Butyl Alcohol
    • t-BuOH
    • Alcohol, tert-Butyl
    • HSDB 50
    • tertbutanol
    • tertiarybutanol
    • CCRIS 4755
    • tertbutyl alcohol
    • NCI-C55367
    • t-Butyl alchohol
    • tert-BuOH
    • Trimethyl-Methanol
    • EINECS 200-889-7
    • UNII-MD83SFE959
    • tert-Butyl hydroxide
    • BRN 0906698
    • tert-C4H9OH
    • Methyl-2 propanol-2
    • 1,1-dimethyl ethanol
    • AI3-01288
    • MFCD00004464
    • 2-Methyl n-propan-2-ol
    • Ethanol, 1,1-Dimethyl-
    • BUTYL ALCOHOL, TERT-
    • 2-Methyl-2-propan-d9-ol
    • MD83SFE959
    • T-BUTYL ALCOHOL [HSDB]
    • DTXSID8020204
    • TERT-BUTYL ALCOHOL [II]
    • TERT-BUTYL ALCOHOL [MI]
    • CHEBI:45895
    • EC 200-889-7
    • 4-01-00-01609 (Beilstein Handbook Reference)
    • TERT-BUTANOL-1,1,1-D3
    • Arconol
    • tert-Butyl alcohol, anhydrous
    • TERT-BUTYL ALCOHOL (II)
    • t-butylalcohol
    • t Butanol
    • tert.-butanol
    • tBuOH
    • Butanol tertiaire [French]
    • MFCD00145361
    • TBU
    • 2-methyl-2-propanol (tert-butyl alcohol)
    • 2-Methylpropanol-2
    • Alcohol, tertiary-Butyl
    • 2-METHYL-2-PROPANOL {TERT-BUTYL ALCOHOL}
    • Alcool butylique tertiaire [French]
    • tbutanol
    • terbutanol
    • tbutyl alcohol
    • ter-butanol
    • tert.butanol
    • t-Butylalkohol
    • t-butyl-alcohol
    • terbutyl alcohol
    • tButyl hydroxide
    • tert -butanol
    • tert. Butanol
    • 2Methyl2propanol
    • t- butanol
    • HOtBu
    • ter-butyl alcohol
    • tert-buyl alcohol
    • tert-butyl-alcohol
    • tert.-butylalcohol
    • tert.butyl alcohol
    • tert-Butanol, AR
    • 1,1Dimethylethanol
    • Methanol, trimethyl
    • 2methyl-2-propanol
    • tert. butyl alcohol
    • HOt-Bu
    • Tert.-butyl alcohol
    • 2Propanol, 2methyl
    • UN1120
    • 2-methyl,2-propanol
    • t-Bu-OH
    • 2-methyl propan-2-ol
    • 2-methyl-propan-2-ol
    • tert-Butanol HPLC grade
    • tert-Butanol ACS reagent
    • 2-methyl-2-propyl alcohol
    • tert-Butyl alcohol (OSHA)
    • Pesticide Code: 001505
    • (CH3)3COH
    • 25-65-0
    • HOC(CH3)3
    • CHEMBL16502
    • DTXCID40204
    • T-BUTYL ALCOHOL [INCI]
    • tert-Butanol, >=99% (GC)
    • tert-Butanol, analytical standard
    • tert-Butanol, p.a., 99.0%
    • STL282741
    • tert-Butanol, anhydrous, >=99.5%
    • AKOS009029221
    • DB03900
    • FB34682
    • tert-Butanol, for HPLC, >=99.5%
    • tert-Butanol, technical grade, 95.0%

  • Applications

    Chemical name: tert-Butyl Alcohol; CAS 75-65-0. In industry, tert-Butyl Alcohol is widely used as a versatile solvent for coatings, inks, cleaners, and adhesives, where its water miscibility and moderate evaporation support formulation. It also serves as a key intermediate in the synthesis of tert‑butyl esters, such as tert‑butyl acrylate, used in polymer coatings and specialty plastics. In cosmetics and personal care formulations as well as household cleaning products, it acts as a solvent and processing aid. In pharmaceutical and agrochemical manufacturing, it is employed as a solvent and a step in synthesis. Additionally, it is used as a cleaning solvent in electronics and surface preparation applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 512.64
    methanol 744.97
    isopropanol 452.28
    water 111.14
    ethyl acetate 166.66
    n-propanol 437.84
    acetone 239.33
    n-butanol 390.29
    acetonitrile 186.91
    DMF 378.38
    toluene 68.45
    isobutanol 314.74
    1,4-dioxane 321.75
    methyl acetate 200.87
    THF 385.1
    2-butanone 228.88
    n-pentanol 223.5
    sec-butanol 425.69
    n-hexane 178.79
    ethylene glycol 340.03
    NMP 378.31
    cyclohexane 132.41
    DMSO 191.51
    n-butyl acetate 152.87
    n-octanol 299.91
    chloroform 379.17
    n-propyl acetate 105.53
    acetic acid 454.46
    dichloromethane 197.94
    cyclohexanone 230.14
    propylene glycol 492.71
    isopropyl acetate 125.95
    DMAc 418.88
    2-ethoxyethanol 255.58
    isopentanol 272.55
    n-heptane 192.35
    ethyl formate 117.7
    1,2-dichloroethane 112.08
    n-hexanol 441.01
    2-methoxyethanol 491.5
    isobutyl acetate 87.75
    tetrachloromethane 157.51
    n-pentyl acetate 128.42
    transcutol 554.82
    n-heptanol 258.0
    ethylbenzene 57.36
    MIBK 112.32
    2-propoxyethanol 484.72
    tert-butanol 548.81
    MTBE 303.26
    2-butoxyethanol 323.77
    propionic acid 393.63
    o-xylene 80.28
    formic acid 265.85
    diethyl ether 231.84
    m-xylene 71.83
    p-xylene 74.38
    chlorobenzene 76.45
    dimethyl carbonate 99.25
    n-octane 68.42
    formamide 184.85
    cyclopentanone 266.03
    2-pentanone 167.04
    anisole 122.69
    cyclopentyl methyl ether 219.63
    gamma-butyrolactone 263.66
    1-methoxy-2-propanol 427.78
    pyridine 154.85
    3-pentanone 172.28
    furfural 212.89
    n-dodecane 54.22
    diethylene glycol 380.52
    diisopropyl ether 110.41
    tert-amyl alcohol 512.65
    acetylacetone 138.27
    n-hexadecane 53.5
    acetophenone 105.21
    methyl propionate 178.71
    isopentyl acetate 142.15
    trichloroethylene 189.33
    n-nonanol 260.96
    cyclohexanol 320.47
    benzyl alcohol 114.28
    2-ethylhexanol 259.49
    isooctanol 187.15
    dipropyl ether 239.02
    1,2-dichlorobenzene 79.32
    ethyl lactate 144.1
    propylene carbonate 172.11
    n-methylformamide 245.92
    2-pentanol 305.59
    n-pentane 167.78
    1-propoxy-2-propanol 405.06
    1-methoxy-2-propyl acetate 185.96
    2-(2-methoxypropoxy) propanol 299.58
    mesitylene 58.99
    ε-caprolactone 220.67
    p-cymene 80.39
    epichlorohydrin 190.29
    1,1,1-trichloroethane 189.5
    2-aminoethanol 487.85
    morpholine-4-carbaldehyde 362.35
    sulfolane 269.82
    2,2,4-trimethylpentane 87.42
    2-methyltetrahydrofuran 289.8
    n-hexyl acetate 233.53
    isooctane 60.12
    2-(2-butoxyethoxy)ethanol 370.98
    sec-butyl acetate 95.17
    tert-butyl acetate 160.84
    decalin 61.73
    glycerin 566.17
    diglyme 436.11
    acrylic acid 334.77
    isopropyl myristate 125.32
    n-butyric acid 323.45
    acetyl acetate 117.28
    di(2-ethylhexyl) phthalate 109.95
    ethyl propionate 128.13
    nitromethane 277.22
    1,2-diethoxyethane 169.72
    benzonitrile 95.56
    trioctyl phosphate 100.09
    1-bromopropane 124.2
    gamma-valerolactone 300.53
    n-decanol 202.04
    triethyl phosphate 94.17
    4-methyl-2-pentanol 184.4
    propionitrile 198.92
    vinylene carbonate 138.02
    1,1,2-trichlorotrifluoroethane 333.94
    DMS 131.16
    cumene 59.2
    2-octanol 182.52
    2-hexanone 128.29
    octyl acetate 172.65
    limonene 127.59
    1,2-dimethoxyethane 285.52
    ethyl orthosilicate 100.68
    tributyl phosphate 104.44
    diacetone alcohol 227.95
    N,N-dimethylaniline 118.6
    acrylonitrile 188.43
    aniline 145.41
    1,3-propanediol 390.62
    bromobenzene 60.2
    dibromomethane 164.77
    1,1,2,2-tetrachloroethane 216.32
    2-methyl-cyclohexyl acetate 147.01
    tetrabutyl urea 135.78
    diisobutyl methanol 143.71
    2-phenylethanol 159.43
    styrene 58.64
    dioctyl adipate 145.94
    dimethyl sulfate 119.95
    ethyl butyrate 137.32
    methyl lactate 213.09
    butyl lactate 167.27
    diethyl carbonate 97.81
    propanediol butyl ether 360.97
    triethyl orthoformate 129.51
    p-tert-butyltoluene 90.8
    methyl 4-tert-butylbenzoate 188.47
    morpholine 383.11
    tert-butylamine 462.53
    n-dodecanol 161.71
    dimethoxymethane 223.64
    ethylene carbonate 126.38
    cyrene 194.48
    2-ethoxyethyl acetate 132.52
    2-ethylhexyl acetate 121.56
    1,2,4-trichlorobenzene 106.23
    4-methylpyridine 137.67
    dibutyl ether 189.21
    2,6-dimethyl-4-heptanol 143.71
    DEF 219.69
    dimethyl isosorbide 283.09
    tetrachloroethylene 177.9
    eugenol 192.1
    triacetin 196.48
    span 80 356.0
    1,4-butanediol 188.19
    1,1-dichloroethane 174.56
    2-methyl-1-pentanol 183.2
    methyl formate 159.71
    2-methyl-1-butanol 298.54
    n-decane 84.98
    butyronitrile 164.41
    3,7-dimethyl-1-octanol 232.28
    1-chlorooctane 144.34
    1-chlorotetradecane 74.88
    n-nonane 87.08
    undecane 64.43
    tert-butylcyclohexane 77.13
    cyclooctane 66.66
    cyclopentanol 337.6
    tetrahydropyran 296.62
    tert-amyl methyl ether 267.71
    2,5,8-trioxanonane 352.33
    1-hexene 194.57
    2-isopropoxyethanol 205.61
    2,2,2-trifluoroethanol 226.6
    methyl butyrate 136.97

    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
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%