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
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
Precursor & DownStream
Precursor
DownStream
Articles
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 ...