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360538

Sigma-Aldrich

tert-Butanol

ACS reagent, ≥99.0%

Synonym(s):

2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol

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About This Item

Linear Formula:
(CH3)3COH
CAS Number:
75-65-0
Molecular Weight:
74.12
Beilstein:
906698
EC Number:
200-889-7
MDL number:
MFCD00004464
UNSPSC Code:
12191601
PubChem Substance ID:
329755263
NACRES:
NA.21
grade:
ACS reagent
Assay:
≥99.0%
bp:
83 °C (lit.)
vapor pressure:
31 mmHg ( 20 °C)
44 mmHg ( 26 °C)

grade

ACS reagent

Quality Level

200

vapor density

2.5 (vs air)

vapor pressure

31 mmHg ( 20 °C)
44 mmHg ( 26 °C)

Assay

≥99.0%

form

solid or liquid

autoignition temp.

896 °F

expl. lim.

8 %

impurities

≤0.001 meq/g Titr. acid
≤0.01% formaldehyde
≤0.1% water

evapn. residue

≤0.003%

color

APHA: ≤20

refractive index

n20/D 1.387 (lit.)

pH

7 (20 °C)

bp

83 °C (lit.)

mp

23-26 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)O

InChI

1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

InChI key

DKGAVHZHDRPRBM-UHFFFAOYSA-N

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General description

tert-Butanol ACS grade solvent meets or exceeds the high standards of the American Chemical Society (ACS). It is ideal for most research needs and delivers replicable, publishable results.
It is used in:     
  • Routine chemical synthesis      
  • Drying & purification
  • Critical labware cleaning

Application

tert-Butanol can be used as a solvent in the oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid using Cu-MnO2 as a catalyst and tert-butyl hydroperoxide (TBHP) as an oxidant. Mixture of tert-butanol and methanol solvent system is used in the synthesis of glycerol dioleates (GDO) via lipase-catalyzed esterification of glycerol with oleic acid.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H332,H335,H336

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

59.0 °F - closed cup

Flash Point(C)

15 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water soluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

360538-1L:4548173938660
360538-18L:
360538-BULK:
360538-VAR-D:
360538-VAR:
360538-6X1L:
360538-2L:4548173938684
360538-6X500ML:
360538-20L:4548173938677
360538-4L:
360538-4X4L:4548173938691
360538-18L-CS:
360538-500ML:4548173938707

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS1635
BCCL3246
SHBR7060
SHBR3607
SHBR9916

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