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472-66-2

472-66-2 Structure

472-66-2 Structure
IdentificationBack Directory
[Name]

2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE
[CAS]

472-66-2
[Synonyms]

FEMA 3474
B-HOMOCYCLOCITRAL
β-Homocyclocitral
beta-Homocyclocitral
homo cyclocitral, beta
Ethyl ring high citral
2 6 6-TRIMETHYL-1-CYCLOHEXENE-1-ACET- &
2,6,6-trimethyl-1-cyclohexene-1-acetaldehyd
2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-ACETALDEHYDE
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE
2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
1-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-
(2,6,6-Trimethyl-1-cyclohexen-1-yl)acetaldehyde
2-(2,6,6-triMethylcyclohex-1-en-1-yl)acetaldehyde
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDE HYDE, TECH., 80%
2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde,β-Homocyclocitral
2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde technical grade, 80%
[EINECS(EC#)]

207-454-0
[Molecular Formula]

C11H18O
[MDL Number]

MFCD00012057
[MOL File]

472-66-2.mol
[Molecular Weight]

166.26
Chemical PropertiesBack Directory
[Melting point ]

58-59°
[Boiling point ]

58-59 °C/0.4 mmHg (lit.)
[density ]

0.941 g/mL at 25 °C (lit.)
[FEMA ]

3474 | 2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-ACETALDEHYDE
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

191 °F
[storage temp. ]

2-8°C
[form ]

liquid
[Odor]

at 10.00 % in dipropylene glycol. camphoreous cooling woody medicinal oily berry orris soapy
[biological source]

synthetic
[Odor Type]

camphoreous
[JECFA Number]

978
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
[InChIKey]

VHTFHZGAMYUZEP-UHFFFAOYSA-N
[SMILES]

[H]C(=O)CC1=C(C)CCCC1(C)C
[LogP]

3.94
[EPA Substance Registry System]

1-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- (472-66-2)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde can be used as a starting material to prepare:
  • (±)-Aeginetolide by oxidation in the presence of meta-chloroperoxybenzoic acid (m-CPBA).
  • (±)-Dihydroactinidiolide (a C11-terpenic lactone) via dehydration of key intermediate aeginetolide.

It can also be used as a key intermediate to synthesize drimane-related sesquiterpenes and substituted retinoic acid analogs.
[Definition]

ChEBI: 2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde is an aldehyde.
[Taste threshold values]

Taste characteristics at 15 ppm: cooling, woody, oily, soapy, citrus with a berry, orris-like nuance.
Spectrum DetailBack Directory
[Spectrum Detail]

2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE(472-66-2)MS
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE(472-66-2)1HNMR
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE(472-66-2)13CNMR
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE(472-66-2)IR1
2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE(472-66-2)Raman
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