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CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER

CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER structure

CAS No:
54450-84-9
Formula:
C8H12O4
Chemical Name:
CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER
Synonyms:
CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER;1-(ethoxycarbonyl)cyclobutane-1-carboxylic acid;1,1-Cyclobutanedicarboxylic acid, 1-ethyl ester

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CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER Basic Attributes

Molecular Weight：

172.179

Exact Mass：

172.073563

DSSTox ID：

DTXSID40441670

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

0.75

Density：

1.3±0.1 g/cm3

Boiling Point：

276.6±23.0 °C at 760 mmHg

Flash Point：

>110℃

Refractive Index：

1.502

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36

Marks：

Xi,Xn

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:172.18
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER

SDS

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