2-Butenoic acid, 3-ethoxy-, ethyl ester
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2-Butenoic acid, 3-ethoxy-, ethyl ester
structure -
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CAS No:
998-91-4
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Formula:
C8H14O3
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Chemical Name:
2-Butenoic acid, 3-ethoxy-, ethyl ester
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Synonyms:
2-Butenoic acid,3-ethoxy-,ethyl ester;Crotonic acid,3-ethoxy-,ethyl ester;Ethyl 3-ethoxycrotonate;Ethyl 3-ethoxy-2-butenoate;3-Ethoxycrotonic acid ethyl ester;Ethyl β-ethoxycrotonate;NSC 224119;NSC 2321;3-Ethoxy-2-butenoic acid ethyl ester
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CAS No:
2-Butenoic acid, 3-ethoxy-, ethyl ester Basic Attributes
158.19
158.20
1757006
213-652-8
DTXSID8075174
2918990090
Characteristics
35.53000
1.48980
0.9565 g/cm3 @ Temp: 49.1000390625 °C
31 °C
60 °C @ Press: 10 Torr
137 °F
1.4535
Insoluble in water.
Safety Information
UN 1325 4.1/PG 2
3
36/37/38
26-27-36/37/39-24/25
Xi
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:158.19
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:35.5
Heavy Atom Count:11
Complexity:149
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Butenoic acid, 3-ethoxy-, ethyl ester
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