| Identification | Back 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 Properties | Back 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 Data | Back 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 Information | Back 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 Detail | Back 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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