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Home > Hot Product_List > 2-Methyl-2-butanol

Basic information

  • Name:
  • 2-Butanol, 2-methyl-

  • Superlist Name:
  • 2-Methyl-2-butanol
  • CAS No.:
  • 75-85-4

  • Molecular Structure:
  • Formula:
  • C5H12O
  • Molecular Weight:
  • 88.15
  • 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 Description:
  • 46 Details
  • Transport Information:
  • UN 1105 3/PG 2

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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.

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