Basic information
- CAS
23023-13-4- Standard SMILES
CCC(=O)Cc1ccc2c(c1)OCO2- InChIKey
SWKXHWCUDGJLNA-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 2-Butanone, 1-(1,3-benzodioxol-5-yl)-
- IUPAC
- 1-(1,3-benzodioxol-5-yl)butan-2-one
- English name
- 1-(3,4-Methylenedioxy)phenyl-2-butanone
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
23023-13-42-Butanone, 1-(1,3-benzodioxol-5-yl)-EINECS 245-384-21-(3,4-Methylenedioxyphenyl)butanone-2DTXSID3066847RefChem:467367DTXCID70367911-(1,3-Benzodioxol-5-yl)butan-2-one1-(3,4-METHYLENEDIOXY)PHENYL-2-BUTANONE1-(2H-1,3-BENZODIOXOL-5-YL)BUTAN-2-ONE1-[3,4-(Methylenedioxy)phenyl]-2-butanone1-(Benzo[d][1,3]dioxol-5-yl)butan-2-one
Show more names
TIMTEC-BB SBB008632ETHYL PIPERONYL KETONE1-(1,3-benzodioxol-5-yl)-2-butanon4-(1,3-BENZODIOXOL-5-YL)-2-BUTANONE1-(1,3-benzodioxol-5-yl)-2-butanone
MFCD020934171-(3,4-Methylenedioxyphenyl)-2-butanoneSCHEMBL7495851SCHEMBL27675421SBB008632AKOS006230419ST0767301-(3,4-Methylenedioxy)phenyl)-2-butanone
Database identifiers
- CAS
23023-13-4- PubChem CID
- 89964
- DTXSID
DTXSID3066847- EC Number
- 245-384-2
- Nikkaji
- J318.385H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 98 °C · 98°C 0,1mm
- refractive index
- 1.5375 · 1.5375
- Flash point
- 98 °C/0.1mm · 98°C/0.1mm
- Water Solubility
- It is insoluble in water.
- BRN
- 6508240 · 6508240
- EPA Substance Registry System
- 2 · 2-Butanone, 1-(1,3-benzodioxol-5-yl)- (23023-13-4)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 23 · 23-24/25
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Butanone, 1-(1,3-benzodioxol-5-yl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 23-24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butanone, 1-(1,3-benzodioxol-5-yl)-: INACTIVE
Applications
Uses1-(3,4-Methylenedioxy)phenyl-2-butanone, is used as a pharmaceutical intermediate.
Suppliers12 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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