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Key Documents

H24402

Sigma-Aldrich

2-Hydroxycyclohexanone dimer

97%

Synonym(s):

Adipoin, NSC 117392

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About This Item

Linear Formula:
[HOC6H9(=O)]2
CAS Number:
Molecular Weight:
228.28
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

form

powder

bp

83-86 °C/13 mmHg (lit.)

mp

100-107 °C (lit.)

storage temp.

2-8°C

SMILES string

OC12CCCCC1OC3(O)CCCCC3O2

InChI

1S/C12H20O4/c13-11-7-3-1-5-9(11)15-12(14)8-4-2-6-10(12)16-11/h9-10,13-14H,1-8H2

InChI key

OLLWHBLCQGPTMZ-UHFFFAOYSA-N

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Application

Reactant involved in:
  • Synthesis of substrated for tin tetrachloride mediated fragmentation to produce ynones and ynoates
  • Tandem oxidation coupling reactions with diamines
  • Asymmetric allylic alkylation of enolates
  • Formate reduction of allylic carbonates for polypropionate systems

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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