Basic information
- CAS
5407-91-0- Standard SMILES
O=C(CCCc1ccccc1)c1ccccc1- InChIKey
GBUMEGLMTNAXOM-UHFFFAOYSA-N- Molecular formula
- C16H16O
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.12011513
Names & identifiers
- Preferred name
- 4-Phenylbutyrophenone
- IUPAC
- 1,4-diphenylbutan-1-one
- English name
- 1,4-DIPHENYL-1-BUTANONE
- Molecular formula
- C16H16O
- Molecular weight
- 224.3
Names & synonyms
1,4-Diphenyl-1-butanone5407-91-04-Phenylbutyrophenone1-Butanone, 1,4-diphenyl-EINECS 226-471-4DTXSID00202401NSC 10735RefChem:100368DTXCID60124892226-471-4GBUMEGLMTNAXOM-UHFFFAOYSA-N1,4-diphenylbutan-1-one
Show more names
4-BUTYRYLBIPHENYLTIMTEC-BB SBB0057661,4-Diphenyl-1-butanone,98%(3-Phenylpropyl)phenyl ketone
MFCD00022005MLS001171228SMR000592347gamma-phenylbutyrophenoneNSC107354-Phenylbutyrophenon1-Butanone,4-diphenyl-1,4-diphenyl-butan-1-one
Database identifiers
- CAS
5407-91-0- PubChem CID
- 79413
- DTXSID
DTXSID00202401- ChEMBL
CHEMBL1497694- EC Number
- 226-471-4
- Nikkaji
- J142.898E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 180 °C · 180°C 8mm
- Density
- 1.0154 · 1.0154 (rough estimate)
- refractive index
- 1.5488 · 1.5488 (estimate)
- Flash point
- 180 °C/8mm · 180°C/8mm
- form
- Powder
- color
- White to slightly yellow
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H361-H372-H410
- Precautionary statements
- 201 · P201-P264-P280-P301+P330+P331-P312
- Safety Statements
- 22 · 22-24/25
- RIDADR
- 3077 · UN3077
- HazardClass
- 9 · 9
- HS Code
- 29143900 · 29143900
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
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
H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (97.5%)
Safety data
- ridadr
- UN3077
- hs_code
- 29143900
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- safety_code
- 22-24/25
- hazard_class
- 9
- Hazard statements
- H302-H361-H372-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P201-P264-P280-P301+P330+P331-P312
Chemistry & industry
Suppliers19 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
1 records
Compound notes
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