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Home > Encyclopedia > Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate

Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate

Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate structure

Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate 

structure
  • CAS No:

    35044-57-6

  • Formula:

    C12H18O2

  • Chemical Name:

    Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate

  • Synonyms:

    2,4-Cyclohexadiene-1-carboxylic acid,2,6,6-trimethyl-,ethyl ester;Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate;Ethyl α-safranate;2,6,6-Trimethyl-1-ethoxycarbonylcyclohexa-2,4-diene

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate Basic Attributes

194.27000

194.27

252-333-8

DTXSID7052026

2916209090

Characteristics

26.30000

2.85210

colourless to pale yellowish clear liquid

0.954 g/cm3

102-103 °C @ Press: 12 Torr

90.2ºC

1.467

Safety Information

|Warning|H317 (96.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 270 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 2,6,6-trimethyl-2,4-cyclohexadiene-1-carboxylate Use and Manufacturing

2,4-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:194.27
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:194.130679813
Monoisotopic Mass:194.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:285
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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