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Trimethyl orthovalerate

Trimethyl orthovalerate structure

CAS No:
13820-09-2
Formula:
C8H18O3
Chemical Name:
Trimethyl orthovalerate
Synonyms:
Pentane,1,1,1-trimethoxy-;Orthovaleric acid,trimethyl ester;1,1,1-Trimethoxypentane;Trimethyl orthovalerate;Trimethyl orthopentanoate
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Trimethyl orthovalerate Basic Attributes

Molecular Weight：

162.229

Exact Mass：

162.23

EC Number：

237-496-5

UNII：

W0X9MOM6VZ

DSSTox ID：

DTXSID4065654

Characteristics

PSA：

27.7

XLogP3：

2.49

Density：

0.9413 g/cm³ @ Temp: 27 °C

Boiling Point：

167-170 °C

Flash Point：

41.7±0.0 °C

Refractive Index：

1.408

Safety Information

Packing level：

III

Transport codes：

UN3272 3/PG 3

hazard class code：

R10;R36/38

safety instructions：

S26;S36

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H226-H315-H319

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 52 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Trimethyl orthovalerate Use and Manufacturing

Manufacturing Info：

Pentane, 1,1,1-trimethoxy-: INACTIVE

Computed Properties

Molecular Weight:162.23
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:162.125594432
Monoisotopic Mass:162.125594432
Topological Polar Surface Area:27.7
Heavy Atom Count:11
Complexity:81.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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