3160-37-0

3160-37-0 structure
3160-37-0 structure

Name (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
Synonyms Piperonylidene acetone
2-Butanone,4-(3,4-(methylenedioxy)phenyl)
Piperonalacetone
Heliotropyl acetone
EINECS 221-608-4
4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-one
3,4-dioxymethylenebenzalacetone
3,4-methylenedioxybenzylidene
4-Benzo[1,3]dioxol-5-yl-but-3-en-2-on
3,4-(methylenedioxy)benzylideneacetone
MFCD00016907
4-benzo[1,3]dioxol-5-yl-but-3-en-2-one
4-(3',4'-Methylendioxy-phenyl)-buten-3-on-2
Acetone,piperonylidene
3,4-Methylenedioxybenzyl acetone
Density 1.225g/cm3
Boiling Point 335.1ºC at 760mmHg
Melting Point 108-110°C
Molecular Formula C11H10O3
Molecular Weight 190.19500
Flash Point 147.6ºC
Exact Mass 190.06300
PSA 35.53000
LogP 2.01750
Index of Refraction 1.598

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9822500
CHEMICAL NAME :
3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-
CAS REGISTRY NUMBER :
3160-37-0
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H10-O3
MOLECULAR WEIGHT :
190.21
WISWESSER LINE NOTATION :
T56 BO DO CHJ G2V1

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 :
4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,847,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,41,1978
Safety Phrases S22-S24/25
RTECS EM9822500

~29%

3160-37-0 structure

3160-37-0

Literature: Dhuru, Sameer; Bhedi, Dilip; Gophane, Dnyaneshwar; Hirbhagat, Kiran; Nadar, Vijaya; More, Dattatray; Parikh, Sapna; Dalal, Roda; Fonseca, Lyle C.; Kharas, Firuza; Vadnal, Prashant Y.; Vishwakarma, Ram A.; Sivaramakrishnan Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 12 p. 3784 - 3787

~83%

3160-37-0 structure

3160-37-0

Literature: Kulkarni; Mathew Tetrahedron Letters, 1990 , vol. 31, # 31 p. 4497 - 4500

~66%

3160-37-0 structure

3160-37-0

Literature: Masuyama, Yoshiro; Kobayashi, Yumiko; Yanagi, Ryota; Kurusu, Yasuhiko Chemistry Letters, 1992 , # 10 p. 2039 - 2042

~%

3160-37-0 structure

3160-37-0

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 12 p. 3784 - 3787

~%

3160-37-0 structure

3160-37-0

Literature: Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 169, p. 67 Chemische Berichte, , vol. 24, p. 625 Bulletin de la Societe Chimique de France, , vol. <3> 13, p. 349 Annales de Chimie (Cachan, France), , vol. <10> 4, p. 423,435