3,3-dimethyl-2-butanol

Names

[ CAS No. ]:
464-07-3

[ Name ]:
3,3-dimethyl-2-butanol

[Synonym ]:
methyl-t-butyl carbinol
3,3-Dimethyl-2-butanol
3,3-dimethyl-2-butano
Pinakolylalkohol
PINACOLYL ALCOHOL
3,3-Dymethyl-2butanol
2,2-dimethyl-3-butanol
1-tert-Butylethanol
EINECS 207-347-9
Pinacoline alcohol
Dymethylbutanol
3,3-dimethyl-2-butan-1-ol
MFCD00004522
PINACOLYILALCOHOL

Chemical & Physical Properties

[ Density]:
0.812 g/mL at 25 °C(lit.)

[ Boiling Point ]:
119-121 °C(lit.)

[ Melting Point ]:
4.8 °C(lit.)

[ Molecular Formula ]:
C₆H₁₄O

[ Molecular Weight ]:
102.17500

[ Flash Point ]:
84 °F

[ Exact Mass ]:
102.10400

[ PSA ]:
20.23000

[ LogP ]:
1.41330

[ Vapour Pressure ]:
8.47mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.415(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EL2276000

CHEMICAL NAME :: 2-Butanol, 3,3-dimethyl-

CAS REGISTRY NUMBER :: 464-07-3

BEILSTEIN REFERENCE NO. :: 1718948

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C6-H14-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3600 ppm/2.3H

TOXIC EFFECTS :: Behavioral - ataxia

REFERENCE :: JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 7,307,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4930 mg/m3/6H/13W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Related to Chronic Data - changes in ovarian weight

REFERENCE :: JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 7,135,1987

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S16

[ RIDADR ]:
UN 1987 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
EL2276000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Pinacolone
L-1-Phenylethylamine
2,2-Dimethylbutane
3,3-Dimethyl-1-butene
1-(methyldiphenylsilyl)-3,3-dimethyl-2-butanol
dea
ch3cho
2-(METHYLSULFINYL)ETHANAMINE HYDROCHLORIDE
Pivaldehyde
3,3-dimethylbut-1-en-2-yl diphenylphosphinate

DownStream

1-Brom-3,3-dimethylbutan-2-on
Pinacolone
2,3-dimethylbutan-2-amine
3,3-Dimethyl-1-butene
tetramethylethylene
2,3-dimethylbutene
Pivalic acid
(s)-3,3-dimethyl-2-butanol
(R)-3,3-dimethyl-2-butanol
tert-Butanol

Articles

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

A novel carbonyl reductase with anti-Prelog stereospecificity from Acetobacter sp. CCTCC M209061: purification and characterization.

PLoS ONE 9(4) , e94543, (2014)

A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5...

Production of buttery-odor compounds and transcriptome response in Leuconostoc gelidum subsp. gasicomitatum LMG18811T during growth on various carbon sources.

Appl. Environ. Microbiol. 81(6) , 1902-8, (2015)

Leuconostoc gelidum subsp. gasicomitatum is a common spoilage bacterium in meat products packaged under oxygen-containing modified atmospheres. Buttery off-odors related to diacetyl/acetoin formation ...