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Product Name: 3,4-(methylenedioxy)benzylideneacetone
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3160-37-0

3160-37-0 structure

Name: 3,4-(methylenedioxy)benzylideneacetone
Chemical Name: (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CAS Number: 3160-37-0
Molecular Formula: C₁₁H₁₀O₃
Molecular Weight: 190.19500
Catalog: Flavors and spices Synthetic spice Ketone fragrance Aromatic ketone
Create Date: 2018-12-29 16:57:20
Modify Date: 2024-01-14 18:54:27

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

120-57-0

67-64-1

~29%

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

56984-72-6

~83%

3160-37-0

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

67-56-1

108-22-5

120-57-0

~66%

3160-37-0

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

139-85-5

3160-37-0

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

120-57-0

67-64-1

3160-37-0

614-66-4

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

Precursor 6
120-57-0 67-64-1 56984-72-6 67-56-1
108-22-5 139-85-5
DownStream 2
55418-52-5 614-66-4

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