[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate

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Names

[ CAS No. ]:
4196-86-5

[ Name ]:
[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate

[Synonym ]:
MFCD00020676
EINECS 224-079-8
[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate

Chemical & Physical Properties

[ Density]:
1.255g/cm3

[ Boiling Point ]:
684.3ºC at 760 mmHg

[ Melting Point ]:
102-104 °C(lit.)

[ Molecular Formula ]:
C33H28O8

[ Molecular Weight ]:
552.57100

[ Flash Point ]:
286.2ºC

[ Exact Mass ]:
552.17800

[ PSA ]:
105.20000

[ LogP ]:
5.40080

[ Index of Refraction ]:
1.599

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RZ2605000
CHEMICAL NAME :
Pentaerythritol, tetrabenzoate
CAS REGISTRY NUMBER :
4196-86-5
BEILSTEIN REFERENCE NO. :
3513249
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C33-H28-O8
MOLECULAR WEIGHT :
552.61
WISWESSER LINE NOTATION :
RVO1X1OVR&1OVR&1OVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1158 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1105,1990 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1681 No. of Facilities: 2078 (estimated) No. of Industries: 25 No. of Occupations: 14 No. of Employees: 4820 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1681 No. of Facilities: 601 (estimated) No. of Industries: 10 No. of Occupations: 15 No. of Employees: 9563 (estimated) No. of Female Employees: 5004 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
RZ2605000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pentaerythritol
  • Benzoyl chloride

DownStream

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Structure of pentaerythritol tetrabenzoate. Bormann LM, et al.

Acta Crystallogr. C Struct. Chem. 49(11) , 1982-85, (1993)

Quantitative analysis of C 10-C 12 naphthalene hydrocarbons using gas chromatography and molecular spectroscopy. Vaisberg KM, et al.

Chem. Tech. Fuels Oils 1(9) , 736-40, (1965)


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