Basic information
- CAS
10541-56-7- Standard SMILES
CCCCCCCCc1ccc(C(C)=O)cc1- InChIKey
GARQDIVXKVBJFP-UHFFFAOYSA-N- Molecular formula
- C16H24O
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.18271539
Overview
P-Octylacetophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- Ethanone, 1-(4-octylphenyl)-
- IUPAC
- 1-(4-octylphenyl)ethanone
- English name
- 4'-N-OCTYLACETOPHENONE
- Molecular formula
- C16H24O
- Molecular weight
- 232.36
Names & synonyms
10541-56-7p-Octylacetophenone4-n-OctylacetophenoneEthanone, 1-(4-octylphenyl)-NSC 168987DTXSID3065116RefChem:138360DTXCID9032955GARQDIVXKVBJFP-UHFFFAOYSA-N1-(4-Octylphenyl)ethanone4'-n-Octylacetophenone4'-Octylacetophenone
Show more names
TIMTEC-BB SBB0083234-OCTYLACETOPHENONE4-noctylbenzenethylone1-(4-octylphenyl)-ethanon4'-n-Octylacetophenone>
p-n-OctylacetophenoneAcetophenone, 4'-octyl-1-(4-octylphenyl)ethan-1-oneMFCD000436821-acetyl-4-octylbenzene1-(4-Octylphenyl)ethanone; NSC 168987; p-Octylacetophenone; p-n-Octylacetophenonep-octylaceto-phenoneNSC168987
Database identifiers
- CAS
10541-56-7- PubChem CID
- 66344
- DTXSID
DTXSID3065116- ChEBI
CHEBI:189354- EC Number
- 813-245-0
- Nikkaji
- J30.877C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 18 °C · 18 °C
- Boiling point
- 152 · 152-153°C 1mm
- Density
- 0.919 · 0.919
- refractive index
- 1.497 · 1.4970 (estimate)
- Flash point
- 152 · 152-153°C/1mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow to Green
- LogP
- 5.564 · 5.564 (est)
- CAS DataBase Reference
- 10541 · 10541-56-7(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · Ethanone, 1-(4-octylphenyl)- (10541-56-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29143990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(4-octylphenyl)-: INACTIVE
Applications
Uses4''-Octylacetophenone is an intermediate in the synthesis of Diethyl 2-Acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl]malonate (D443140), a reactant that has been used in the preparation of the immunosuppressive agent FRY-720 (F805000).
Suppliers56 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司
Related reactions
6 records
Compound notes
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