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Methyl pivalate

Methyl pivalate structure

CAS No:
598-98-1
Formula:
C6H12O2
Chemical Name:
Methyl pivalate
Synonyms:
Propanoic acid,2,2-dimethyl-,methyl ester;Pivalic acid,methyl ester;Methyl pivalate;Methyl trimethylacetate;Methyl 2,2-dimethylpropanoate;Methyl 2,2-dimethylpropionate;2,2-Dimethyl-propanoic acid methyl ester
Categories:
Catalyst and Auxiliary > Precious Metal Catalysts

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Description

CLEAR COLOURLESS LIQUID

Methyl pivalate Basic Attributes

Molecular Weight：

116.15800

Exact Mass：

116.16

EC Number：

209-959-1

UNII：

BFX9W386OX

DSSTox ID：

DTXSID4027234

HScode：

29156090

Characteristics

PSA：

26.30000

XLogP3：

1.20550

Appearance：

clear liquid

Density：

0.891 g/cm³ @ Temp: 0 °C

Melting Point：

Boiling Point：

101.1 °C

Flash Point：

Refractive Index：

1.389-1.391

Storage Conditions：

Flammables area

Vapor Pressure：

65 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 1563 mg/kg LD50 dermal Rat > 2000 mg/kg

Henrys Law Constant：

4.25e-04 atm-m3/mole

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3272

wgk germany：

hazard class code：

R11

safety instructions：

S16-S33-S9

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (98.18%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 55 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl pivalate Use and Manufacturing

Uses

Uses: used in pharmaceutical intermediates.

Manufacturing Info：

Propanoic acid, 2,2-dimethyl-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:116.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:89.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutylene

Sodium methoxide

Methanol

Sulfuric acid

Methyl Methacrylate

Downstream Products

Mesitylene

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CAS No.: 598-98-1

Grade: Pharmaceutical Grade

Content: 99.5%

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