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ETHYL 6-HEPTENOATE98

ETHYL 6-HEPTENOATE98 structure

CAS No:
25118-23-4
Formula:
CH3CH2OCO(CH2)4CH=CH2
Chemical Name:
ETHYL 6-HEPTENOATE98
Synonyms:
ETHYL 6-HEPTENOATE98;6-Heptenoic acid ethyl ester;Ethyl 6-heptenoate 98%;Ethylhept-6-enoate97%
Categories:
Chemical Reagents > Organic Reagents

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ETHYL 6-HEPTENOATE98 Basic Attributes

Molecular Weight：

156.22

Exact Mass：

156.115036

DSSTox ID：

DTXSID60339964

HScode：

2916190090

Characteristics

PSA：

26.30000

XLogP3：

2.92

Density：

0.9±0.1 g/cm3

Boiling Point：

189 °C(lit.)

Flash Point：

175 °F

Refractive Index：

1.429

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, 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:156.22
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:156.115029749
Monoisotopic Mass:156.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes