[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate

Modify Date: 2024-01-23 09:47:46

[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate Structure
[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate structure
Common Name [2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate
CAS Number 76597-90-5 Molecular Weight 344.35900
Density 1.272g/cm3 Boiling Point 537.6ºC at 760 mmHg
Molecular Formula C19H20O6 Melting Point N/A
MSDS N/A Flash Point 191.7ºC

 Names

Name [2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.272g/cm3
Boiling Point 537.6ºC at 760 mmHg
Molecular Formula C19H20O6
Molecular Weight 344.35900
Flash Point 191.7ºC
Exact Mass 344.12600
PSA 93.06000
LogP 1.67140
Index of Refraction 1.586

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RZ2580000
CHEMICAL NAME :
Pentaerythritol, dibenzoate
CAS REGISTRY NUMBER :
76597-90-5
BEILSTEIN REFERENCE NO. :
2000379
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H20-O6
MOLECULAR WEIGHT :
344.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 15,1,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1320 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 14,361,1962

 Synthetic Route

~10%

[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate Structure

[2-(benzoyloxym...

CAS#:76597-90-5

Literature: EMPIRE TECHNOLOGY DEVELOPMENT LLC; CARLSON, William B.; PHELAN, Gregory D. Patent: WO2013/141875 A1, 2013 ; Location in patent: Paragraph 0061 ;

~%

[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate Structure

[2-(benzoyloxym...

CAS#:76597-90-5

Literature: David, Serge Carbohydrate Research, 2001 , vol. 331, # 3 p. 327 - 329

~%

[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate Structure

[2-(benzoyloxym...

CAS#:76597-90-5

Literature: David, Serge Carbohydrate Research, 2001 , vol. 331, # 3 p. 327 - 329

~%

[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate Structure

[2-(benzoyloxym...

CAS#:76597-90-5

Literature: David, Serge Carbohydrate Research, 2001 , vol. 331, # 3 p. 327 - 329

 Synonyms

2,2-bis-benzoyloxymethyl-propane-1,3-diol
2,2-Bis-benzoyloxymethyl-propan-1,3-diol
Pentaerythrite dibenzoate
dibenzoylpentaerythritol
Pentaerythritol,dibenzoate
Dwubenzoesan pentaery trytu