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(1s,5r,6s)-Ethyl 5-(Pentan-3-Yl-Oxy)-7-Oxa-Bicyclo[4.1.0]Hept-3-Ene-3-Carboxylate

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(1S,5R,6S)-Ethyl 5-(Pentan-3-Yl-Oxy)-7-Oxa-Bicyclo[4.1.0]Hept-3-Ene-3-Carboxylate / CAS : 204254-96-6

Appearance White to grayish white solid UN 0
HS 29189900 DG Class 0
Synonyms Ethyl (1S,5R,6S)-5-(Pentan-3-Yl-Oxy)-7-Oxa-Bicyclo[4.1.0]Hept-3-Ene-3-Carboxylate; [1S-(1A,5B,6A)]-5-(1-Ethylpropoxy)-7-Oxabicyclo[4.1.0]Hept-3-Ene-3-Carboxylic Acid Ethyl Ester; Ethyl (3R,4S,5S)-4,5-Epoxy-3-(1-Ethylpropoxy)Cyclohex-1-Ene-1-Carboxylate; (1S,5R,6S)-5-(1-Ethyl-Propoxy)-7-Oxa-Bicyclo[4.1.0]Hept-3-Ene-3-Carboxylic Acid Ethyl Ester; (1S,5R,6S)-Ethyl 5-(Pentan-3-Yl-Oxy)-7-Oxa-Bicyclo[410]Hept-3-Ene-3-Carboxylate; 7-Oxabicyclo[4.1.0]Hept-3-Ene-3-Carboxylic Acid, 5-(1-Ethylpropoxy)-, Ethyl Ester, (1S,5R,6S)-; [1S-(1A,5B,6A)]-5-(1-Ethylpropoxy)-7-Oxabicyclo[4.1.0]Hept-3-Ene-3-Carboxylic
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Overview

Uses

Properties

Summary

Formula
C14H22O4
Molecular Mass
254.32200
Exact Mass
254.15200
PSA
48.06000
Logp
2.22080
IUPAC
ethyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
SMILES
CCC(CC)O[C@@H]1C=C(C[C@H]2[C@@H]1O2)C(=O)OCC

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
56-57ºC
Density
1.09g/cm3
Boiling Point
336.495ºC
Flash Point
145.075ºC
Appearance
White to grayish white solid
Acidity and Basicity
neutral

Export information

HS Code
29189900
Export Rebate
13%
UN No.
0
DG-Class
0

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