Basic information
- CAS
61203-83-6- Standard SMILES
CCCCCC1CCC(=O)CC1- InChIKey
UKLNPJDLSPMJMQ-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 4-Pentylcyclohexanone
- IUPAC
- 4-pentylcyclohexan-1-one
- English name
- 4-Pentylcyclohexanone
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
4-Pentylcyclohexanone61203-83-6DTXSID20340612EC 406-670-4RefChem:526264DTXCID00291693406-670-44-n-Pentylcyclohexanone4-pentylcyclohexan-1-oneMFCD000595814-Amylcyclohexanone4-pentylcyclo hexanone
Show more names
4-Pentylcyclohexanon4-N-AMYLCYCLOHEXANONECyclohexanone, 4-pentyl-4-Pentylcyclohexanone>1-(Pentyloxy)cyclohex-1-ene4-n-Amylcyclohexanone, 98+%
SCHEMBL730083UKLNPJDLSPMJMQ-UHFFFAOYSA-SBB059350AKOS006229151CS-W013233BS-17295DB-009042NS00007341
Database identifiers
- CAS
61203-83-6- PubChem CID
- 566097
- DTXSID
DTXSID20340612- EC Number
- 406-670-4、682-338-4
- Nikkaji
- J149.476G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 237.1 · 237.1±8.0 °C(Predicted)
- Density
- 0 · 0,89 g/cm3
- vapor pressure
- 2 Pa · 2Pa at 20℃
- refractive index
- 1.454 to · 1.4540 to 1.4580
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- Specific Gravity
- 0.89 · 0.89
- color
- Colorless to Almost colorless
- Water Solubility
- 110 mg/L · 110mg/L at 20℃
- InChI
- InChI=1S/C11H20O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h10H,2-9H2,1H3
- InChIKey
- UKLNPJDLSPMJMQ-UHFFFAOYSA-N
- SMILES
- C1(=O)CCC(CCCCC)CC1
- LogP
- 4.5 at · 4.5 at 20℃
- CAS DataBase Reference
- 61203 · 61203-83-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H227
- Precautionary statements
- 501 · P501-P273-P210-P280-P370+P378-P391-P403+P235
- Hazard Codes
- N
- Risk Statements
- 51 · 51/53
- Safety Statements
- 61 · 61
- RIDADR
- 3082 · 3082
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29142990 · 29142990
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
H411: 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)
H411 (100%): 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 244 reports by companies from 1 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory InformationStatus: Active Update: 06-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29750
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
Safety data
- ridadr
- 3082
- hs_code
- 29142990
- risk_code
- 51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H411-H227
- REACH Registrations
- Inactive
- Precautionary statements
- P501-P273-P210-P280-P370+P378-P391-P403+P235
Chemistry & industry
Applications
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
扬州时利和诚科技有限公司15312801805 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司021-61552785 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
金和盛新材料科技（山东）有限公司15275330359 15275330359 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
Related reactions
26 records
Compound notes
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