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14731-78-3

14731-78-3 structure
14731-78-3 structure

Name ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Synonyms ethyl 3,4-ethylenedioxybenzoylformate
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetic acid ethyl ester
Ethyl-3-(3',4'-methylendioxy-phenyl)-2-propenoat
2,3-dihydrobenzo[1,4]dioxin-6-ylhydroxyacetic acid ethyl ester
ethyl 2,3-dihydro-1,4-benzodioxin-6-yl(oxo)acetate
3-Benzo[1,3]dioxol-5-yl-acrylsaeure-aethylester
3,4-Methylendioxy-zimtsaeure-aethylester
3-<3,4-Methylendioxy-phenyl>-acrylsaeureaethylester
ethyl 3,4-ethylenedioxyphenylglyoxylate
ethyl 3-(3,4-dioxymethylenephenyl)propenoate
ethyl 3,4-methylenedioxycinnamate
3-benzo[1,3]dioxol-5-yl-acrylic acid ethyl ester
Density 1.236g/cm3
Boiling Point 337.2ºC at 760mmHg
Molecular Formula C12H12O4
Molecular Weight 220.22100
Flash Point 149.2ºC
Exact Mass 220.07400
PSA 44.76000
LogP 1.99160
Vapour Pressure 0.000106mmHg at 25°C
Index of Refraction 1.58

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD3020000
CHEMICAL NAME :
2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester
CAS REGISTRY NUMBER :
14731-78-3
LAST UPDATED :
199307
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H12-O4
MOLECULAR WEIGHT :
220.24

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 :
948 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 43,551,1988

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14731-78-3

Literature: ELIXIR PHARMACEUTICALS, INC.; SAUNDERS, Jeffrey, O.; SARMA, Bugga, V.N.B.S.; RAO, K.V., Nageshwar Patent: WO2010/104929 A1, 2010 ; Location in patent: Page/Page column 55-56 ;

~55%

14731-78-3 structure

14731-78-3

Literature: Kalypsys, Inc. Patent: US2006/116515 A1, 2006 ; Location in patent: Page/Page column 58 ; US 20060116515 A1

~69%

14731-78-3 structure

14731-78-3

Literature: Suzuki, Hitomi; Inouye, Masahiko Chemistry Letters, 1986 , p. 403 - 406

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14731-78-3 structure

14731-78-3

Literature: Feuerstein; Heimann Chemische Berichte, 1901 , vol. 34, p. 1470

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14731-78-3 structure

14731-78-3

Literature: Sharma, Abhishek; Sharma, Naina; Shard, Amit; Kumar, Rakesh; Mohanakrishnan, Dinesh; Saima; Sinha, Arun K.; Sahal, Dinkar Organic and Biomolecular Chemistry, 2011 , vol. 9, # 14 p. 5211 - 5219

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14731-78-3 structure

14731-78-3

Literature: Li, Xiao-Dong; Kang, Shuai-Tao; Li, Guo-Yu; Li, Xian; Wang, Jin-Hui Molecules, 2011 , vol. 16, # 5 p. 3580 - 3596

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14731-78-3 structure

14731-78-3

Literature: Hoering Chemische Berichte, 1907 , vol. 40, p. 2176 Full Text Show Details Baude; Reychler Bulletin de la Societe Chimique de France, 1897 , vol. <3> 17, p. 616 Full Text Show Details Reychler Bulletin de la Societe Chimique de France, 1897 , vol. <3> 17, p. 515

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14731-78-3 structure

14731-78-3

Literature: Hoering Chemische Berichte, 1907 , vol. 40, p. 2176