Basic information
- CAS
823-76-7- Standard SMILES
CC(=O)C1CCCCC1- InChIKey
RIFKADJTWUGDOV-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
1-cyclohexylethanone is a methyl ketone that is cyclohexane substituted by an acetyl group at position 1.
Names & identifiers
- Preferred name
- Cyclohexyl methyl ketone
- IUPAC
- 1-cyclohexylethanone
- English name
- 1-Cyclohexylethan-1-one
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
1-Cyclohexylethan-1-oneCyclohexyl methyl ketoneAcetylcyclohexaneEthanone, 1-cyclohexyl-Methyl cyclohexyl ketone1-AcetylcyclohexaneCyclohexylethanoneCyclohexane, acetyl-Ketone, cyclohexyl methylAcetophenone, hexahydro-HexahydroacetophenoneNSC 16249
Show more names
1-Cyclohexylethanone1-cyclohexyl-ethanoneCyclohexylmethylketonMETHYLCYCLOHEXYL KETONE
EINECS 212-517-0UNII-U53404H6B8NSC-16249U53404H6B8c-C6H11COCH3DTXSID40231674RefChem:129688Ethanone, 1-cyclohexyl-(9CI)
Database identifiers
- CAS
823-76-7- PubChem CID
- 13207
- DTXSID
DTXSID40231674- ChEMBL
CHEMBL5272368- ChEBI
CHEBI:195514- UNII
- U53404H6B8
- EC Number
- 212-517-0
- Nikkaji
- J79.973D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -34 °C · -34°C
- Boiling point
- 181 · 181-183°C
- Density
- 0 · 0,917 g/cm3
- refractive index
- 1.452 · 1.4520
- Flash point
- 57 °C · 57°C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- form
- Liquid
- Specific Gravity
- 0.92 · 0.92
- color
- Colourless
- Water Solubility
- Not miscible or difficult to mix in water.
- BRN
- 507229 · 507229
- Henry's Law Constant
- 2.9 · 2.9×10-1 mol/(m3Pa) at 25℃, Bagno et al. (1991)
- InChIKey
- RIFKADJTWUGDOV-UHFFFAOYSA-N
- SMILES
- O=C(C1CCCCC1)C
- LogP
- 1.93 · 1.930 (est)
- CAS DataBase Reference
- 823 · 823-76-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 53404 H6B8 · U53404H6B8
- NIST Chemistry Reference
- 6 H11COCH3 · c-C6H11COCH3(823-76-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 210 e-P261-P280a-P305+P351+P338-P405-P501a · P210e-P261-P280a-P305+P351+P338-P405-P501a
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1993 · 1993
- WGK Germany
- 1 · WGK 1
- RTECS
- 5638850 · KM5638850
- Hazard Note
- Irritant
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29142990 · 29142990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Cyclohexylethan-1-one: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 1
- rtecs
- KM5638850
- ridadr
- 1993
- hs_code
- 29142990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 3.2
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H227-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt can be used to produce acetoxycyclohexane. It is also used as a pharmaceutical intermediate.
Preparation methods
Preparation1-Cyclohexylethan-1-one is synthesized from cyclohexene, which is then hydrogenated to produce acetylcyclohexane.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海大然化学有限公司021-64478606 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
越林试剂021-62960152 · [email protected]
蚌埠中实化学技术有限公司+86-0552-4929304 +86-18055277008 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
安庆牧草生物科技有限公司18855665075 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Related reactions
44 records
Compound notes
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