Acetophenone-13C

Modify Date: 2024-01-04 12:58:06

Acetophenone-13C Structure
Acetophenone-13C structure
Common Name Acetophenone-13C
CAS Number 71777-36-1 Molecular Weight 121.14100
Density 1.038 g/mL at 25ºC Boiling Point 202ºC(lit.)
Molecular Formula C8H8O Melting Point 19-20ºC(lit.)
MSDS USA Flash Point 180 °F
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Use of Acetophenone-13C


Acetophenone-13C is the 13C labeled Acetophenone[1]. Acetophenone is an organic compound with simple structure[2].

 Names

Name 1-phenylethanone-2-13C
Synonym More Synonyms

 Acetophenone-13C Biological Activity

Description Acetophenone-13C is the 13C labeled Acetophenone[1]. Acetophenone is an organic compound with simple structure[2].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Żymańczyk-Duda E, et al. Reductive capabilities of different cyanobacterial strains towards acetophenone as a model substrate - Prospect of applications for chiral building blocks synthesis. Bioorg Chem. 2019 Feb 25. pii: S0045-2068(18)31467-6.  

 Chemical & Physical Properties

Density 1.038 g/mL at 25ºC
Boiling Point 202ºC(lit.)
Melting Point 19-20ºC(lit.)
Molecular Formula C8H8O
Molecular Weight 121.14100
Flash Point 180 °F
Exact Mass 121.06100
PSA 17.07000
LogP 1.88920
Index of Refraction n20/D 1.5335(lit.)

 Safety Information

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H318
Precautionary Statements P280-P305 + P351 + P338
Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases 26
RIDADR UN 3334

 Synthetic Route

~64%

Acetophenone-13C Structure

Acetophenone-13C

CAS#:71777-36-1

Literature: Kuninobu, Yoichiro; Ueda, Hirokazu; Kawata, Atsushi; Takai, Kazuhiko Journal of Organic Chemistry, 2007 , vol. 72, # 18 p. 6749 - 6752

~%

Acetophenone-13C Structure

Acetophenone-13C

CAS#:71777-36-1

Literature: Baldwin, John E.; Barden, Timothy C. Journal of the American Chemical Society, 1984 , vol. 106, # 18 p. 5312 - 5319

~%

Acetophenone-13C Structure

Acetophenone-13C

CAS#:71777-36-1

Literature: Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong Organic Letters, 2013 , vol. 15, # 14 p. 3606 - 3609

~33%

Acetophenone-13C Structure

Acetophenone-13C

CAS#:71777-36-1

Literature: Budesinsky, Milos; Kulhanek, Jiri; Boehm, Stanislav; Cigler, Petr; Exner, Otto Magnetic Resonance in Chemistry, 2004 , vol. 42, # 10 p. 844 - 851

 Synonyms

1-phenyl-[2-13C]ethanone
[8-13C]acetophenone
Acetophenone-|A-13C
Acetophenone-(methyl-13C)
MFCD00064444