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Basic Information
CAS No.: 75-85-4
Name: tert-Amyl alcohol
Article Data: 199
Molecular Structure:
Molecular Structure of 75-85-4 (tert-Amyl alcohol)
Formula: C5H12O
Molecular Weight: 88.1497
Synonyms: tert-Pentylalcohol (8CI);1,1-Dimethyl-1-propanol;2-Ethyl-2-propanol;2-Hydroxy-2-methylbutane;2-Methyl-2-hydroxybutane;Amylenehydrate;Dimethylethylcarbinol;Ethyldimethylcarbinol;NSC 25498;tert-Amylalcohol;tert-Pentanol;
EINECS: 200-908-9
Density: 0.811 g/cm3
Melting Point: -12 °C
Boiling Point: 102 °C at 760 mmHg
Flash Point: 21.1 °C
Solubility: 120 g/L (20 °C) in water
Appearance: colourless liquid with a camphor-like odour
Hazard Symbols: FlammableF,HarmfulXn
Risk Codes: 11-20-37/38
Safety: 46
Transport Information: UN 1105 3/PG 2
PSA: 20.23000
LogP: 1.16730
Synthetic route
115-19-5

2-methyl-but-3-yn-2-ol

A

75-85-4

tert-Amyl alcohol

B

115-18-4

2-methyl-3-buten-2-ol

Conditions
ConditionsYield
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics;A n/a
B 98%
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.3h; Product distribution; Ambient temperature; various time;A 2%
B 91%
With hydrogen; nickel dihydroxide; Ni(C17H35COO)2 In toluene at 40℃; Product distribution; Kinetics; other catalyst. Object of study: selectivity;A 41.6%
B 85.5%
115-19-5

2-methyl-but-3-yn-2-ol

75-85-4

tert-Amyl alcohol

Conditions
ConditionsYield
With sodium tetrahydroborate; hydrogen; nickel dichloride In isopropyl alcohol at 60℃; under 760.051 Torr; for 7h;90%
With hydrogen; palladium membrane at 29.9℃; Kinetics; electrochemical reduction;
With alkali durch elektrolytische Reduktion an Platinkathoden;
6689-16-3

2-methyl-2-trimethylsiloxybutane

75-85-4

tert-Amyl alcohol

Conditions
ConditionsYield
With nano magnetic sulfated zirconia (Fe3O4 at ZrO2/SO42-) In neat (no solvent) at 20℃; for 0.416667h; Green chemistry;80%
97-94-9

triethyl borane

67-64-1

acetone

75-85-4

tert-Amyl alcohol

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In tetrahydrofuran; N,N-dimethyl-formamide for 7h; Ambient temperature; electrolysis with Pt/Cu electrodes;76%
78-78-4

methylbutane

A

563-80-4

3-methyl-butan-2-one

B

75-85-4

tert-Amyl alcohol

C

96-17-3, 57456-98-1

2-Methylbutyraldehyde

D

598-75-4

3-methyl-2-butanol

Conditions
ConditionsYield
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h;A 11%
B 70%
C 4.5%
D n/a
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h; Product distribution;A 11%
B 70%
C 4.5%
D n/a
563-46-2

2-Methyl-1-butene

64-19-7

acetic acid

A

75-85-4

tert-Amyl alcohol

B

661-53-0

2-fluoro-2-methylbutane

C

625-16-1

tert-amyl acetate

Conditions
ConditionsYield
With hydrogenchloride; water at 25℃; Kinetics;A 70%
B 25%
C n/a
54269-84-0

1,1-dimethyl-1-(2-propenyloxy)-propane

75-85-4

tert-Amyl alcohol

Conditions
ConditionsYield
With lithium aluminium tetrahydride; titanium tetrachloride In tetrahydrofuran for 8h; Ambient temperature;49%
78-78-4

methylbutane

A

75-85-4

tert-Amyl alcohol

B

64-19-7

acetic acid

C

67-64-1

acetone

Conditions
ConditionsYield
With N-hydroxyphthalimide; air; cobalt(II) acetate In benzonitrile at 100℃; under 7600 Torr; for 8h; Oxidation;A 21%
B 15%
C 32%
1927-66-8

2-(1,1-dimethyl-propoxy)-tetrahydropyran

75-85-4

tert-Amyl alcohol

Conditions
ConditionsYield
With acid-washed bentonite In acetone at 40 - 50℃;10%
558-30-5

2-methyl-1,2-epoxypropane

2999-74-8

dimethylmagnesium

75-85-4

tert-Amyl alcohol

Conditions
ConditionsYield
With diethyl ether
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  • 2-Methyl-2-butanol

  • Casno:

    75-85-4

    2-Methyl-2-butanol

    Min.Order: 1000 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Used as a raw material for synthetic spices and pesticides, it is also an excellent solvent. Appearance:Liquid Storage:tightly from light Package:180kg/drum Application:Used as a raw material for synthetic spices and pesticides, it is also an excelle

    Established in 1943 as one of the national largest manufacturing and exporting bases in the chemical synthetic pharmaceuticals field, Shandong Xinhua Pharmaceutical Company Limited

  •  Shandong Xinhua Pharmaceutical Co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:+86-533-2196801

    Address:1 lutai road,zhangdian dis,Zibo City

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  • 2-Methyl-2-butanol

  • Casno:

    75-85-4

    2-Methyl-2-butanol

    Min.Order: 100 Kilogram

    FOB Price:  USD $ 0.0-0.0

    CASNO.75-85-4 EINECSNO.200-908-9 FORMULAC5H12O MOLWT.88.15 TOXICITYOralratLD50:1000mg/kg SYNONYMS t-AmylAlcohol;2-… Appearance:Colorless transparent liquid Storage:Flammables area Package:200L drum Application:synthetic material of perfume a

    QINGDAO ON-BILLION INDUSTRIAL CO.,LTD was established in 2004 with registered capital RMB 26 million. (Former Qingdao on-billion imp&exp co.,ltd was founded in 1993 ) Awarded as E

  • QINGDAO ON-BILLION INDUSTRAIL CO.,LTD

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-15005320811 +86-532-80681989

    Address:F35 Parkson Mansion No.44-60 Zhongshan Rd.

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Specification

The IUPAC name of 2-Methyl-2-butanol is 2-methylbutan-2-ol. With the CAS registry number 75-85-4, it is also named as tert-Amyl alcohol. The product's category is Organics. Besides, it is colourless liquid with a camphor-like odour, which should be sealed in a cool, dark and ventilated place. It is light sensitive, and incompatible with strong oxidizing agents. In addition, its molecular formula is C5H12O and molecular weight is 88.15.

The other characteristics of this product can be summarized as: (1)EINECS: 200-908-9; (2)ACD/LogP: 1.04; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.04; (5)ACD/LogD (pH 7.4): 1.04; (6)ACD/BCF (pH 5.5): 3.64; (7)ACD/BCF (pH 7.4): 3.64; (8)ACD/KOC (pH 5.5): 87.73; (9)ACD/KOC (pH 7.4): 87.73; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 26.71 cm3; (15)Molar Volume: 108.6 cm3; (16)Surface Tension: 25 dyne/cm; (17)Density: 0.811 g/cm3; (18)Flash Point: 21.1 °C; (19)Melting point: -12 °C; (20)Water solubility: 120 g/L (20 °C); (21)Enthalpy of Vaporization: 39.77 kJ/mol; (22)Boiling Point: 102 °C at 760 mmHg; (23)Vapour Pressure: 19.2 mmHg at 25 °C.

Preparation of 2-Methyl-2-butanol: this chemical can be prepared by Acetone and Acetylene. This reaction will occur by ethynylation and hydrogenation.

Uses of 2-Methyl-2-butanol: this chemical possesses sedative, hypnotic, and anticonvulsant effects in humans. It is a cosolvent of cellulose esters, cellulose ethers, dope, varnish, mineral flotation agent, acridine and nitro spray. Moreover, it can react with Diketene to get Acetoacetic acid tert-pentyl ester.



This reaction needs 4-Dimethylaminopyridine and Tetrahydrofuran at temperature of 20 °C for 5 min. The yield is 73 %.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. It is also harmful by inhalation. And it is irritating to respiratory system and skin. If swallowed, please seek medical advice immediately and show this container or label.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCC(C)(C)O
(2)InChI: InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
(3)InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 4gm/kg (4000mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
man LDLo unreported 441mg/kg (441mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LD50 intravenous 610mg/kg (610mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse LD50 subcutaneous 2100mg/kg (2100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.
mouse LDLo intraperitoneal 2gm/kg (2000mg/kg)   Skandinavisches Archiv fuer Physiologie. Vol. 79, Pg. 258, 1938.
mouse LDLo oral 2500mg/kg (2500mg/kg)   "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LD50 oral 2028mg/kg (2028mg/kg) SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

CARDIAC: PULSE RATE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rat LCLo inhalation 5700ppm/6H (5700ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0536478,
rat LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: ATAXIA Science. Vol. 116, Pg. 663, 1952.
rat LDLo intraperitoneal 1530mg/kg (1530mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.
rat LDLo rectal 1400mg/kg (1400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 36, 1933.
rat LDLo subcutaneous 1400mg/kg (1400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 36, 1933.