1'-oxosafrole

Modify Date: 2025-09-26 00:42:34

1'-oxosafrole Structure
1'-oxosafrole structure
 Common Name 1'-oxosafrole
CAS Number 30418-53-2 Molecular Weight 176.16900
Density 1.225g/cm3 Boiling Point 303.2ºC at 760mmHg
Molecular Formula C10H8O3 Melting Point N/A
MSDS N/A Flash Point 128.1ºC

 Names

Name 1-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.225g/cm3
Boiling Point 303.2ºC at 760mmHg
Molecular Formula C10H8O3
Molecular Weight 176.16900
Flash Point 128.1ºC
Exact Mass 176.04700
PSA 35.53000
LogP 1.78400
Index of Refraction 1.564
InChIKey LNOUMTOCQWMBOJ-UHFFFAOYSA-N
SMILES C=CC(=O)c1ccc2c(c1)OCO2

 Safety Information

HS Code 2932999099

 Synthetic Route

1'-hydroxysafrole structure

1'-hydroxysafrole

CAS#:5208-87-7

~75%

1'-oxosafrole Structure

1'-oxosafrole

CAS#:30418-53-2

Literature: Han, Xiaojun; Corey Organic Letters, 1999 , vol. 1, # 11 p. 1871 - 1872
Safrole structure

Safrole

CAS#:94-59-7

~65%

1'-oxosafrole Structure

1'-oxosafrole

CAS#:30418-53-2

Literature: Madurro, Joao Marcos; Chiericato, Glaico Jr.; Giovani, Wagner F.De; Romero, Jose Ricardo Tetrahedron Letters, 1988 , vol. 29, # 7 p. 765 - 768
1,3-Benzodioxole structure

1,3-Benzodioxole

CAS#:274-09-9

Acrylyl chloride structure

Acrylyl chloride

CAS#:814-68-6

~25%

1'-oxosafrole Structure

1'-oxosafrole

CAS#:30418-53-2

Literature: Daukshas, V. K.; Gaidyalis, P. G.; Udrenaite, E. B.; Labanauskas, L. K.; Gasperavichene, G. A.; et al. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 12 p. 990 - 995 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 12 p. 1466 - 1470
piperonal structure

piperonal

CAS#:120-57-0

~%

1'-oxosafrole Structure

1'-oxosafrole

CAS#:30418-53-2

Literature: Han, Xiaojun; Corey Organic Letters, 1999 , vol. 1, # 11 p. 1871 - 1872
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

1-(1,1-DIMETHYL-3-BUTYL-1H-BENZOEINDOL-2-YLIDENEMETHYL)-3-(1,1-DIMETHYL-3-BUTYL-1H-BENZOEINDOLIUM-2-YL-METHYLENE)-CYCLOBUTEN-2-ONE-4-OLATE structure

1-(1,1-DIMETHYL...

CAS#:306935-39-7

~61%

1'-oxosafrole Structure

1'-oxosafrole

CAS#:30418-53-2

Literature: Riofski, Mark V.; John, Jinu P.; Zheng, Mary M.; Kirshner, Julia; Colby, David A. Journal of Organic Chemistry, 2011 , vol. 76, # 10 p. 3676 - 3683
1,3-Benzodioxole structure

1,3-Benzodioxole

CAS#:274-09-9

3-Methoxypropanoyl chloride structure

3-Methoxypropan...

CAS#:4244-59-1

~%

1'-oxosafrole Structure

1'-oxosafrole

CAS#:30418-53-2

N/A structure

N/A

CAS#:127119-36-2

Literature: Daukshas, V. K.; Gaidyalis, P. G.; Udrenaite, E. B.; Labanauskas, L. K.; Gasperavichene, G. A.; et al. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 12 p. 990 - 995 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 12 p. 1466 - 1470
2-(3,4-methylenedioxybenzoyl)-1-methyl-1H-imidazole structure

2-(3,4-methylen...

CAS#:92994-39-3

~%

1'-oxosafrole Structure

1'-oxosafrole

CAS#:30418-53-2

Literature: Hayakawa, Satoshi; Michiue, Tohru; Okamoto, Masao; Hatakeyama, Shoko; Ohta, Shunsaku Heterocycles, 1988 , vol. 27, # 2 p. 457 - 474

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1,3-benzodioxolyl vinyl ketone
1'-Oxosafrole
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