METHYLTRANS-2-METHYL-2-PENTENOATE
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METHYLTRANS-2-METHYL-2-PENTENOATE
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CAS No:
1567-14-2
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Formula:
C7H12O2
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Chemical Name:
METHYLTRANS-2-METHYL-2-PENTENOATE
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Synonyms:
Methyl trans-2-methyl-2-pentenoate;methyl 2-methyl-2-pentenoate;methyl (E)-2-methylpent-2-enoate;methyl (2E)-2-methyl-2-pentenoate;SCHEMBL374910;SCHEMBL2616622;(E)-Methyl 2-methylpent-2-enoate;Methyl (E)-2-methyl-2-pentenoate;ZINC2545351;2-Methyl-2-pentenoic acid methyl ester
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CAS No:
Characteristics
26.30000
1.51570
0.92 g/mL at 25ºC(lit.)
46-47ºC15 mm Hg(lit.)
124 °F
n20/D 1.438(lit.)
Safety Information
III
3.2
UN 3272 3/PG 3
10
16-27-36/37/39
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:128.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:125
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
METHYLTRANS-2-METHYL-2-PENTENOATE
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