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187836

1,3-Dimethyladamantane

≥99%

Synonym(s):

1,3-Dimethyltricyclo[3.3.1.13,7]decane

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About This Item

Empirical Formula (Hill Notation):
C12H20
CAS Number:
702-79-4
Molecular Weight:
164.29
NACRES:
NA.22
PubChem Substance ID:
24851287
UNSPSC Code:
12352100
EC Number:
211-870-8
MDL number:
MFCD00074755
Assay:
≥99%
Form:
liquid
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Quality Segment

assay

≥99%

form

liquid

refractive index

n20/D 1.478 (lit.)

density

0.886 g/mL at 25 °C (lit.)

SMILES string

C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C)(C3)C2

InChI

1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3/t9-,10+,11-,12+

InChI key

CWNOIUTVJRWADX-BKUVIOGVSA-N

General description

1,3-Dimethyladamantane undergoes C-H insertion reaction with phenylchlorocarbene. It reacts with with molecular oxygen in the presence of N-hydroxyphthalimide combined with cobalt salts to yield 3,5-dimethyladamantan-1-ol and 5,7-dimethyladamantane-1,3-diol.

Application

1,3-Dimethyladamantane was used in the synthesis of 1,3-dibromo-5,7-dimethyladamantane.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Codes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

Flash Point (°F)

127.4 °F - closed cup

Flash Point (°C)

53 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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