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rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate structure

CAS No:
116044-44-1
Formula:
C13H20O2
Chemical Name:
rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
Synonyms:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,3-(1-methylethyl)-,ethyl ester,(1R,2S,3S,4S)-rel-;Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,3-(1-methylethyl)-,ethyl ester,(2-endo,3-exo)-;rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
Categories:
Cosmetic Ingredient > Perfuming

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rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate Basic Attributes

Molecular Weight：

208.2967

Exact Mass：

208.30

EC Number：

427-090-8

DSSTox ID：

DTXSID5051315

Characteristics

PSA：

26.3

XLogP3：

3.1

Density：

1.017±0.06 g/cm3(Predicted)

Boiling Point：

260.7±19.0 °C(Predicted)

Refractive Index：

1.491

Safety Information

Precautionary statement(s)：

P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 1328 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 173 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate Use and Manufacturing

Manufacturing Info：

Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:208.30
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:208.146329876
Monoisotopic Mass:208.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:280
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

rel-Ethyl (1R,2S,3S,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

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