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Merck
CN

264679

2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde

technical grade, 80%

Synonym(s):

β-Homocyclocitral

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About This Item

Empirical Formula (Hill Notation):
C11H18O
CAS Number:
Molecular Weight:
166.26
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
207-454-0
MDL number:
Assay:
80%
Form:
liquid
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grade

technical grade

Quality Segment

assay

80%

form

liquid

refractive index

n20/D 1.485 (lit.)

bp

58-59 °C/0.4 mmHg (lit.)

density

0.941 g/mL at 25 °C (lit.)

functional group

aldehyde

SMILES string

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

InChI

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

InChI key

VHTFHZGAMYUZEP-UHFFFAOYSA-N

Application

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.

Other Notes

Contains β-cyclocitral


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Pictograms

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Signal Word

Warning

Hazard Codes

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

10 - Combustible liquids

WGK

WGK 3

PPE (personal protective equipment)

Eyeshields, Gloves, type ABEK (EN14387) respirator filter



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