4-(2H)Hydroxy-4-(2H3)methyl(2H8)pentan-2-one

Modify Date: 2024-01-05 11:57:19

4-(2H)Hydroxy-4-(2H3)methyl(2H8)pentan-2-one Structure
4-(2H)Hydroxy-4-(2H3)methyl(2H8)pentan-2-one structure
Common Name 4-(2H)Hydroxy-4-(2H3)methyl(2H8)pentan-2-one
CAS Number 114253-85-9 Molecular Weight 128.232
Density 0.9±0.1 g/cm3 Boiling Point 168.1±0.0 °C at 760 mmHg
Molecular Formula C6D12O2 Melting Point N/A
MSDS Chinese USA Flash Point 61.7±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 1,1,1,3,3,5,5,5-octadeuterio-4-deuteriooxy-4-(trideuteriomethyl)pentan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 168.1±0.0 °C at 760 mmHg
Molecular Formula C6D12O2
Molecular Weight 128.232
Flash Point 61.7±0.0 °C
Exact Mass 128.159058
PSA 37.30000
LogP -0.09
Vapour Pressure 0.5±0.6 mmHg at 25°C
Index of Refraction 1.427

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H319
Precautionary Statements P210-P305 + P351 + P338-P370 + P378
Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases 26-36/37/39
RIDADR UN1148 - class 3 - PG 3 - Diacetone alcohol

 Synthetic Route

~%

4-(2H)Hydroxy-4-(2H3)methyl(2H8)pentan-2-one Structure

4-(2H)Hydroxy-4...

CAS#:114253-85-9

Literature: Vassilikogiannakis, Georgios; Stratakis, Manolis; Orfanopoulos, Michael; Foote, Christopher S. Journal of Organic Chemistry, 1999 , vol. 64, # 11 p. 4130 - 4139

 Synonyms

d12-4-hydroxy-4-methyl-2-pentanone
Octadeuterio-4-deuteriooxy-4-trideuteriomethyl-pentan-2-on
Diacetone alcohol-d12
2-Pentanone-1,1,1,3,3,5,5,5-d, 4-(hydroxy-d)-4-(methyl-d)-
4-(H)Hydroxy-4-(H)methyl-2-(H)pentanone
4-(H)Hydroxy-4-(H)methyl(H)pentan-2-one
4-Hydroxy-4-methyl-2-pentanone-d12
octadeuterio-4-deuteriooxy-4-trideuteriomethyl-pentan-2-one
MFCD00190463