Basic information
- CAS
119-60-8- Standard SMILES
O=C(C1CCCCC1)C1CCCCC1- InChIKey
TWXWPPKDQOWNSX-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Overview
dicyclohexyl ketone has been reported in Scutellaria barbata with data available.
Names & identifiers
- Preferred name
- Dicyclohexyl ketone
- IUPAC
- dicyclohexylmethanone
- English name
- Dicyclohexyl ketone
- Molecular formula
- C13H22O
- Molecular weight
- 194.31
Names & synonyms
Dicyclohexyl ketoneDicyclohexylmethanoneMethanone, dicyclohexyl-Cyclohexane ketoneKETONE, DICYCLOHEXYLNSC 49725EINECS 204-336-0UNII-4JW244G15FBRN 1909406AI3-05564TWXWPPKDQOWNSX-UHFFFAOYSA-4JW244G15F
Show more names
NSC 60007Cyclohexyl ketoneBicyclohexyl Ketoneketone,dicyclohexyl
NSC-49725NSC-600074-07-00-00262 (Beilstein Handbook Reference)DTXSID7059488EC 204-336-0RefChem:133236Cyclohexyl ketone (8CI)DTXCID5033466
Database identifiers
- CAS
119-60-8- PubChem CID
- 8403
- DTXSID
DTXSID7059488- UNII
- 4JW244G15F
- EC Number
- 204-336-0
- Nikkaji
- J41.546D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 57 °C · 57°C
- Boiling point
- 138 °C/13 · 138 °C/13 mmHg (lit.)
- Density
- 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.485(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- InChI
- InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
- InChIKey
- TWXWPPKDQOWNSX-UHFFFAOYSA-N
- SMILES
- C(C1CCCCC1)(C1CCCCC1)=O
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
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Danger
H202 (25%): (Deleted) Explosive; severe projection hazard [Danger Explosives]
P210, P230, P240, P250, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Dicyclohexyl ketone (EC: 204-336-0)
Methanone, dicyclohexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OB1804500
- hs_code
- 29142990
- Toxicity
- mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06751,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationMethanone, dicyclohexyl-: INACTIVE
Applications
UsesDicyclohexyl Ketone (cas# 119-60-8) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
5 records
Compound notes
Loading…