1.3-Propenediol, dibenzoate

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Names

[ CAS No. ]:
2451-86-7

[ Name ]:
1.3-Propenediol, dibenzoate

[Synonym ]:
O,O'-dibenzoyl-1,3-propylendiol
1,3-bis-benzoyloxy-propane
Benzoflex S-432
1,3-propylene dibenzoate
Tmetb
1,3-Propanediol, dibenzoate
Trimethyleneglycol,dibenzoate
Propane-1,3-diyl dibenzoate
Trimethylolethane benzoate
1,3-Propanediyl dibenzoate
1,3-dibenzoyloxypropane
1,3-PROPANEDIOL,DIBENZOATE
1,3-Propanediol dibenzoate
Benzoic acid diester with trimethylolethane

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
422.9±28.0 °C at 760 mmHg

[ Molecular Formula ]:
C17H16O4

[ Molecular Weight ]:
284.306

[ Flash Point ]:
212.1±22.4 °C

[ Exact Mass ]:
284.104858

[ PSA ]:
52.60000

[ LogP ]:
4.70

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.562

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY4960000
CHEMICAL NAME :
1,3-Propanediol, dibenzoate
CAS REGISTRY NUMBER :
2451-86-7
BEILSTEIN REFERENCE NO. :
2057480
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H16-O4
MOLECULAR WEIGHT :
284.33
WISWESSER LINE NOTATION :
RVO3OVR

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 :
24 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 2,108,1975

Safety Information

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • benzoic acid
  • 1,3-Propanediol
  • Benzoyl cyanide
  • Iodobenzene
  • Carbon monooxide-molybdenum (6:1)
  • Benzoyl chloride
  • 1,3-Dibromopropane
  • Ethyl benzoate
  • Silver benzoate
  • Sodium Benzoate

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%

Related Compounds

  • 1.3-Dicyano-5-<1.1-ethylendioxyethyl>-2-acetoxy-azulen
  • 1.3-Bis-(2'-hydroxymethyl-phenyl)-propan
  • 1.3-Dichlor-7-nitro-2-fluorenamin
  • 1.3-Diphenyl-2-(S-benzyliso)-4-thiobiuret
  • 1.3-Bis-(chlordimethylsilyl)-2-chlorformyl-n-propan
  • 1.3-butadiene Ru(CO)3
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 4,4,5,5-Tetramethyl-2-(4-(2-(methylthio)ethyl)phenyl)-1,3,2-dioxaborolane
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide