Basic information
- CAS
6668-24-2- Standard SMILES
CC(=O)C(C)C(=O)c1ccccc1- InChIKey
IRNJRGVFXLVQEK-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 2-Methyl-1-phenylbutane-1,3-dione
- IUPAC
- 2-methyl-1-phenylbutane-1,3-dione
- English name
- 2-Methyl-1-phenylbutane-1,3-dione
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
2-methyl-1-phenylbutane-1,3-dione6668-24-2DTXSID30341019RefChem:263005DTXCID008912133-Benzoyl-2-butanone2-METHYL-1-PHENYL-BUTANE-1,3-DIONE1-phenyl-2-methyl-1,3-butanedioneMFCD090335491,3-Butanedione, 2-methyl-1-phenyl-2-Methyl-1-phenyl-1,3-butanedioneMethylbenzoylaceton
Show more names
Cholest-5-en-3-ol,(5α)-1-PHENYL-2-METHYLBUTANE-1,3-DIONE
SCHEMBL3274886SCHEMBL11628014SCHEMBL281310901-phenyl-2-methyl-1,3-butandioneGAA66824AKOS0063300222-Methyl-1-phenyl-1,3-butanedione #DS-12823
Database identifiers
- CAS
6668-24-2- PubChem CID
- 569369
- DTXSID
DTXSID30341019- EC Number
- 983-774-0
- Nikkaji
- J102.548A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 130 · 130-134 °C(Press: 11 Torr)
- Density
- 1.0899 g/cm3 · 1.0899 g/cm3(Temp: 6.2 °C)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.78 · 9.78±0.26(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2914390090 · 2914390090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers24 total
上海策嵘生物科技有限公司[email protected]
广州理文科技有限公司18028686850 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
河南东元化工科技有限公司16696119288 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海雷鸣医药科技有限公司13761371720 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Related reactions
1 records
Compound notes
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