76597-90-5

76597-90-5 structure

Name: [2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate
Chemical Name: [2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate
CAS Number: 76597-90-5
Molecular Formula: C₁₉H₂₀O₆
Molecular Weight: 344.35900
Create Date: 2017-11-17 21:30:46
Modify Date: 2024-01-23 09:47:46

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

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

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

770-74-1

98-88-4

~10%

76597-90-5

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

98-88-4

76597-90-5

346446-82-0

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

2425-41-4

76597-90-5

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

98-88-4

76597-90-5

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

Precursor 3
770-74-1 98-88-4 2425-41-4
DownStream 0

56-41-7	108-65-6
56-35-9	64-17-5
67-56-1	108-88-3
141-78-6	1310-73-2
13463-67-7	1333-86-4