Basic information
- CAS
6553-80-6- Standard SMILES
CC(C)OC(=O)C1CCCCC1- InChIKey
PMQZNGSMBAGPRU-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 1-methylethyl ester
- IUPAC
- propan-2-yl cyclohexanecarboxylate
- English name
- Cyclohexanecarboxylic acid isopropyl ester
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
6553-80-6Isopropyl cyclohexanecarboxylateCyclohexanecarboxylic acid, 1-methylethyl esterDTXSID10215825RefChem:1082518DTXCID40138316229-474-9Cyclohexanecarboxylic acid isopropyl esterpropan-2-yl cyclohexanecarboxylateCYCLOHEXANECARBOXYLICACIDISOPROPYLESTERMFCD00058949EINECS 229-474-9
Show more names
Isopropyl Cyclohexanecarboxylate >Cyclohexanecarboxylic acid isopropyl ester
AI3-19658isopropyl cyclohexylformateSCHEMBL1421696SCHEMBL1439590SCHEMBL3483420SCHEMBL4738704SCHEMBL5428424SCHEMBL6884286
Database identifiers
- CAS
6553-80-6- PubChem CID
- 81039
- DTXSID
DTXSID10215825- EC Number
- 229-474-9
- Nikkaji
- J150.349I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 131 °C · 131 °C
- Density
- 0.94 · 0.94
- refractive index
- 1.438 · 1.4380-1.4390
- form
- clear liquid
- Specific Gravity
- 0.94 · 0.94
- color
- Colorless to Almost colorless
- LogP
- 3.12 · 3.120 (est)
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- HS Code
- 2916200090 · 2916200090
Safety & regulation
Safety data
- hs_code
- 2916200090
- Signal word
- Warning
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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TCI Europe320-37350700 · [email protected]
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九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
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南京承乾医药科技有限公司025-52791040 18652036685
TCI Chemicals (India) Pvt. Ltd.[email protected]
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北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
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河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
7 records
Compound notes
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