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Mecoprop isooctyl ester

Mecoprop isooctyl ester structure

CAS No:
28473-03-2
Formula:
C18H27ClO3
Chemical Name:
Mecoprop isooctyl ester
Synonyms:
Propanoic acid,2-(4-chloro-2-methylphenoxy)-,isooctyl ester;Propionic acid,2-[(4-chloro-o-tolyl)oxy]-,isooctyl ester;Mecoprop isooctyl ester;106442-64-2;72147-04-7
Categories:
Analytical Chemistry > Standard

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Mecoprop isooctyl ester Basic Attributes

Molecular Weight：

326.86

Exact Mass：

326.16500

EC Number：

249-046-5

DSSTox ID：

DTXSID2034706

Characteristics

PSA：

35.5

XLogP3：

5.31780

Density：

1.051g/cm3

Boiling Point：

397.1ºC at 760mmHg

Flash Point：

100 °C

Refractive Index：

1.494

Safety Information

Transport codes：

UN30829/PG3

wgk germany：

hazard class code：

22-43-50/53

safety instructions：

13-36/37-60-61

RTECS Number：

UA2455000

Marks：

Xn,N

Precautionary statement(s)：

P273-P280

Hazard Statements：

H302-H317-H400

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:326.9
XLogP3:6.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:10
Exact Mass:326.1648724
Monoisotopic Mass:326.1648724
Topological Polar Surface Area:35.5
Heavy Atom Count:22
Complexity:320
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes