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CAS Number: 6130-98-9
2,2,7,7-tetramethylocta-3,5-diyne

Structure

2,2,7,7-tetramethylocta-3,5-diyne
Name: 2,2,7,7-tetramethylocta-3,5-diyne
Synonyms:
General Information
Product Number: 6130989

CAS Registry Number 6130-98-9
Name:
3,​5-​Octadiyne, 2,​2,​7,​7-​tetramethyl-
1,3-Di-tert-butyl-1,3-butadiyne
1,4-Bis(tert-butyl)butadiyne
1,4-Di-tert-butyl-1,3-butadiyne
2,2,7,7-Tetramethyl-3,5-octadiyne
Di-tert-butylbutadiyne

 

Chemical Formula: C12H18
Exact Mass: 162.14
Molecular Weight: 162.27
m/z: 162.14 (100.0%), 163.14 (13.0%)

 

InChI:InChI=1S/C12H18/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3

InChI Key:VCVMWFDNPLLHKP-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C#CC#CC(C)(C)C

 

Thermal Properties Value Condition Note
Melting Point 131-132 °C   (16)CAS
Melting Point 131-132 °C   (17)CAS
Melting Point 130-132 °C   (18)CAS
Melting Point 130-132 °C   (14)IC
Melting Point 130-130.5 °C   (19)IC
Melting Point 130 °C   (11)CAS

Specification

98%

References
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