Registration Dossier

Reference substances

Reference substances

IUPAC name:
methyl (1R,2S)-2,6,6-trimethylcyclohex-3-ene-1-carboxylate

Inventory

EC number:
453-570-1
EC name:
-
CAS number:
-
Description:
FIRASCONE
CAS number:
540734-22-3
Synonyms
Names:
(1RS, 2SR) (+/-) Methyl trans 2,6,6,-trimethyl-3-cyclohexene-1-carboxylate

Molecular and structural information

Molecular formula:
C11H18O2
Molecular weight:
ca. 182.2
SMILES notation:
CC1=CCCC(C)(C)[C@@H]1C(OC)=O
InChl:
InChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h6,9H,5,7H2,1-4H3/t9-/m0/s1
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
815580-59-7