Amylene Hydrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    75-85-4

    Molecular formula
    C5H12O

    SMILES
    CCC(C)(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 983.5

  • Odor profile

    Ethereal 77.18%
    Fermented 72.3%
    Camphoreous 69.25%
    Solvent 66.57%
    Alcoholic 64.67%
    Mint 54.28%
    Pungent 45.11%
    Musty 43.46%
    Sweaty 37.21%
    Fresh 36.43%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    Molecular weight
    88.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -9.1 °C
    • -8.4 °C

    Boiling point

    • 102.4 °C at 760 mm Hg
    • Binary azeotrope with 27.5% (wt) water with boiling point 87.35 °C

    Flash point est.
    16.16 ˚C

    Flash point expt.

    • 67 °F (NFPA, 2010)
    • 19 °C
    • 67 °C (CLOSED CUP)

    Solubility expt.

    • Solubility in water: 12.1%wt at 20 °C; 11.0%wt at 25 °C; 10.1%wt at 30 °C
    • Solubility parameter = 20.758 sqrt(MJ/cu m)
    • Sol in 8 part water; miscible with alc, ether, benzene, chloroform, glycerol, oils
    • Very soluble in acetone
    • In water, 99,100 mg/L at 25 °C
    • 110 mg/mL at 25 °C

  • Synonyms

    • 2-METHYL-2-BUTANOL
    • tert-Amyl alcohol
    • 75-85-4
    • 2-Methylbutan-2-ol
    • Amylene hydrate
    • tert-Pentyl alcohol
    • tert-Pentanol
    • t-Amyl alcohol
    • 2-Butanol, 2-methyl-
    • Dimethylethylcarbinol
    • Ethyldimethylcarbinol
    • t-Pentyl alcohol
    • tert-Isoamyl alcohol
    • 1,1-Dimethyl-1-propanol
    • 3-Methylbutan-3-ol
    • Dimethyl ethyl carbinol
    • Ethyl dimethyl carbinol
    • tert-amylalcohol
    • 2-Methyl butanol-2
    • tert-n-Amyl alcohol
    • Amylenum hydratum
    • Amylalkohol, tertiaerer
    • 3-Methyl-butanol-(3)
    • tertiary amyl alcohol
    • NSC 25498
    • tertpentanol
    • Amylene hydrate (NF)
    • Amylene hydrate [NF]
    • 2-Methyl-butan-2-ol
    • tertamyl alcohol
    • HSDB 5005
    • 3-Methyl-butanol-(3) [German]
    • EINECS 200-908-9
    • 2-BUTANOL,2-METHYL
    • NSC-25498
    • BRN 1361351
    • Methyl-2 butanol-2
    • Methyl-3 butanol-3
    • DTXSID0041436
    • AI3-24191
    • 69C393R11Z
    • C2H5C(CH3)2OH
    • PENTYL ALCOHOL, TERT-
    • AMYLENE HYDRATE [HSDB]
    • AMYLENE HYDRATE [MART.]
    • DTXCID8021436
    • TERT-PENTYL ALCOHOL [MI]
    • CHEBI:132750
    • EC 200-908-9
    • 4-01-00-01668 (Beilstein Handbook Reference)
    • potassium t-amylate
    • 25-85-4
    • AMYLENE HYDRATE (MART.)
    • Amylene hydrate [USAN]
    • MFCD00004478
    • Amylenhydrat
    • amylene-hydrate
    • tamyl alcohol
    • tpentyl alcohol
    • 3Methylbutan3ol
    • tertnAmyl alcohol
    • UNII-69C393R11Z
    • tertpentyl alcohol
    • tert-amyl-alcohol
    • tert. amylalcohol
    • tert.-amylalcohol
    • 2Methyl butanol2
    • t-Amyl, alcohol-
    • tert.-amyl alcohol
    • tertiary amylalcohol
    • 2-methyl-2butanol
    • 2Butanol, 2methyl
    • 3Methylbutanol(3)
    • t-AmOH
    • 1,1-dimethylpropanol
    • 1,1Dimethyl1propanol
    • Amylene hydrate, USAN
    • methyl-tert-butyl alcohol
    • 2-hydroxy-2-methylbutane
    • 2-methyl-2-hydroxybutane
    • 3-Hydroxy-3-methyl butane
    • 2-ETHYL-2-PROPANOL
    • CHEMBL44658
    • 2M2B
    • WLN: QX2&1&1
    • HMS3264I17
    • Pharmakon1600-01301017
    • NSC25498
    • Tox21_302356
    • MSK000909
    • NSC760354
    • AKOS000119037
    • CCG-213670
    • NSC-760354
    • CAS-75-85-4
    • tert-Pentyl alcohol 2-Methyl-2-butanol
    • 2-methyl-2-butanol (tert-amyl alcohol)
    • 2-Methyl-2-butanol, analytical standard
    • NCGC00166208-01
    • NCGC00255665-01
    • 2-Methyl-2-butanol, anhydrous, >=99%
    • 2-Methyl-2-butanol, ReagentPlus(R), 99%
    • NS00007184
    • P0059
    • EN300-19309
    • 2-Methyl-2-butanol, ReagentPlus(R), >=99%
    • C21401
    • D02931
    • E80408
    • AB01563165_01
    • A838528
    • Q209428
    • 2-Methyl-2-butanol 100 microg/mL in Acetonitrile
    • BRD-K93502141-001-01-6
    • F0001-1906
    • Z104473496
    • 5A800302-5F41-4E10-9197-D3B0BD85C237
    • t-Amyl Alchohol, Pharmaceutical Secondary Standard; Certified Reference Material
    • 200-908-9

  • Applications

    Amylene hydrate (also known as tert-amyl alcohol, 2-methyl-2-butanol; CAS 75-85-4) is a versatile tertiary alcohol used both as a solvent and as a synthetic intermediate: it is etherified to produce tert-amyl methyl ether (TAME) and tert-amyl ethyl ether (TAEE) for gasoline oxygenation and octane enhancement, esterified to tert-amyl esters (e.g., acetate, benzoate) employed in inks, coatings, adhesives and fragrance/flavor formulations; it serves as a polar co-solvent with moderate evaporation rate to improve solvency, flow and film formation for resins, nitrocellulose and other polymers; it is used as a reaction/extraction medium and as an entrainer to facilitate water removal via azeotropic distillation in organic synthesis; it is a precursor to hindered strong bases such as sodium/potassium tert-amylate for E2 eliminations, enolate generation and coupling chemistry; in laboratories it finds use in extractions, analytical sample preparation and as a reference solvent; additionally, amylene hydrate has historical use as a sedative–hypnotic in medicine, but this application is now largely obsolete due to safety concerns and the availability of superior alternatives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1094.23
    methanol 1255.04
    isopropanol 968.31
    water 69.67
    ethyl acetate 342.27
    n-propanol 816.0
    acetone 402.71
    n-butanol 780.46
    acetonitrile 378.58
    DMF 502.86
    toluene 110.0
    isobutanol 553.53
    1,4-dioxane 517.99
    methyl acetate 358.03
    THF 658.33
    2-butanone 388.64
    n-pentanol 463.84
    sec-butanol 819.71
    n-hexane 220.14
    ethylene glycol 434.4
    NMP 439.3
    cyclohexane 125.08
    DMSO 297.44
    n-butyl acetate 235.34
    n-octanol 417.26
    chloroform 708.62
    n-propyl acetate 167.0
    acetic acid 671.53
    dichloromethane 404.78
    cyclohexanone 352.38
    propylene glycol 758.24
    isopropyl acetate 229.5
    DMAc 521.19
    2-ethoxyethanol 498.97
    isopentanol 525.33
    n-heptane 199.89
    ethyl formate 213.61
    1,2-dichloroethane 202.58
    n-hexanol 720.95
    2-methoxyethanol 890.07
    isobutyl acetate 128.25
    tetrachloromethane 263.48
    n-pentyl acetate 206.64
    transcutol 942.54
    n-heptanol 396.17
    ethylbenzene 76.45
    MIBK 175.87
    2-propoxyethanol 782.44
    tert-butanol 986.8
    MTBE 483.48
    2-butoxyethanol 498.97
    propionic acid 641.85
    o-xylene 102.09
    formic acid 379.02
    diethyl ether 421.1
    m-xylene 94.35
    p-xylene 101.05
    chlorobenzene 123.33
    dimethyl carbonate 109.18
    n-octane 72.61
    formamide 335.85
    cyclopentanone 416.76
    2-pentanone 302.49
    anisole 171.79
    cyclopentyl methyl ether 329.61
    gamma-butyrolactone 405.05
    1-methoxy-2-propanol 748.72
    pyridine 266.9
    3-pentanone 243.99
    furfural 309.64
    n-dodecane 49.38
    diethylene glycol 585.43
    diisopropyl ether 159.17
    tert-amyl alcohol 868.44
    acetylacetone 218.4
    n-hexadecane 50.17
    acetophenone 135.48
    methyl propionate 289.27
    isopentyl acetate 199.33
    trichloroethylene 337.88
    n-nonanol 352.37
    cyclohexanol 472.85
    benzyl alcohol 175.29
    2-ethylhexanol 365.82
    isooctanol 280.58
    dipropyl ether 317.75
    1,2-dichlorobenzene 113.69
    ethyl lactate 166.83
    propylene carbonate 233.81
    n-methylformamide 387.29
    2-pentanol 606.04
    n-pentane 200.29
    1-propoxy-2-propanol 599.4
    1-methoxy-2-propyl acetate 246.28
    2-(2-methoxypropoxy) propanol 346.95
    mesitylene 70.75
    ε-caprolactone 333.93
    p-cymene 83.13
    epichlorohydrin 337.83
    1,1,1-trichloroethane 324.13
    2-aminoethanol 747.14
    morpholine-4-carbaldehyde 466.23
    sulfolane 344.03
    2,2,4-trimethylpentane 96.52
    2-methyltetrahydrofuran 519.88
    n-hexyl acetate 332.31
    isooctane 61.49
    2-(2-butoxyethoxy)ethanol 514.88
    sec-butyl acetate 146.97
    tert-butyl acetate 235.41
    decalin 64.21
    glycerin 693.08
    diglyme 598.77
    acrylic acid 470.24
    isopropyl myristate 137.49
    n-butyric acid 648.24
    acetyl acetate 182.59
    di(2-ethylhexyl) phthalate 121.65
    ethyl propionate 180.31
    nitromethane 458.95
    1,2-diethoxyethane 282.43
    benzonitrile 153.85
    trioctyl phosphate 111.84
    1-bromopropane 231.57
    gamma-valerolactone 463.79
    n-decanol 259.61
    triethyl phosphate 98.24
    4-methyl-2-pentanol 304.84
    propionitrile 383.02
    vinylene carbonate 179.62
    1,1,2-trichlorotrifluoroethane 472.03
    DMS 147.53
    cumene 73.25
    2-octanol 276.35
    2-hexanone 213.88
    octyl acetate 193.5
    limonene 132.87
    1,2-dimethoxyethane 451.07
    ethyl orthosilicate 111.51
    tributyl phosphate 115.69
    diacetone alcohol 347.9
    N,N-dimethylaniline 140.42
    acrylonitrile 326.05
    aniline 239.87
    1,3-propanediol 718.97
    bromobenzene 99.81
    dibromomethane 320.66
    1,1,2,2-tetrachloroethane 368.07
    2-methyl-cyclohexyl acetate 156.94
    tetrabutyl urea 135.22
    diisobutyl methanol 180.04
    2-phenylethanol 219.4
    styrene 84.26
    dioctyl adipate 156.67
    dimethyl sulfate 125.41
    ethyl butyrate 186.78
    methyl lactate 266.68
    butyl lactate 221.5
    diethyl carbonate 115.16
    propanediol butyl ether 508.1
    triethyl orthoformate 161.88
    p-tert-butyltoluene 91.65
    methyl 4-tert-butylbenzoate 205.29
    morpholine 675.53
    tert-butylamine 753.38
    n-dodecanol 193.02
    dimethoxymethane 281.64
    ethylene carbonate 171.32
    cyrene 214.01
    2-ethoxyethyl acetate 210.23
    2-ethylhexyl acetate 163.49
    1,2,4-trichlorobenzene 144.51
    4-methylpyridine 240.16
    dibutyl ether 265.32
    2,6-dimethyl-4-heptanol 180.04
    DEF 331.58
    dimethyl isosorbide 318.52
    tetrachloroethylene 281.67
    eugenol 223.65
    triacetin 230.88
    span 80 423.39
    1,4-butanediol 310.42
    1,1-dichloroethane 340.7
    2-methyl-1-pentanol 379.16
    methyl formate 220.11
    2-methyl-1-butanol 550.97
    n-decane 90.13
    butyronitrile 372.79
    3,7-dimethyl-1-octanol 310.44
    1-chlorooctane 180.21
    1-chlorotetradecane 77.83
    n-nonane 93.83
    undecane 63.99
    tert-butylcyclohexane 83.87
    cyclooctane 57.46
    cyclopentanol 540.1
    tetrahydropyran 496.84
    tert-amyl methyl ether 389.95
    2,5,8-trioxanonane 401.92
    1-hexene 314.14
    2-isopropoxyethanol 376.61
    2,2,2-trifluoroethanol 291.2
    methyl butyrate 208.21

    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
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.01%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 1.52%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.23%