Basic information
- CAS
7045-70-7- Standard SMILES
CC(C)C1CCCC(C(C)C)C1- InChIKey
WDTCMYUFBNCSKK-UHFFFAOYSA-N- Molecular formula
- C12H24
- Average molar mass
- 168.32 g/mol
- Monoisotopic mass
- 168.18780077
Names & identifiers
- Preferred name
- 1,3-Diisopropylcyclohexane
- IUPAC
- 1,3-di(propan-2-yl)cyclohexane
- English name
- 1,3-Diisopropylcyclohexane
- Molecular formula
- C12H24
- Molecular weight
- 168.32
Names & synonyms
1,3-DIISOPROPYLCYCLOHEXANERefChem:414498653-213-17045-70-71,3-Diisopropyl cyclohexane1,3-di(propan-2-yl)cyclohexane1,3-bis(propan-2-yl)cyclohexane1,3-Diisopropylcyclohexane, cis + transSCHEMBL1066980SCHEMBL17204011,3-bis(methylethyl)cyclohexaneSCHEMBL18964951
Show more names
Cyclohexane, 1,3-bis(1-methylethyl)-cis,trans-1,3-Diisopropylcyclohexane1,3-Diisopropylcyclohexane, cis + trans, 98%1,3-Diisopropylcyclohexane, cis + trans, 97+%1,3-DIISOPROPYLCYCLOHEXANE ISO 9001：2015 REACH1,3-diisopropylcyclohexane(mixture of cis-and trans-)
SCHEMBL19127743SCHEMBL27756518DTXSID40334937WDTCMYUFBNCSKK-UHFFFAOYSA-NMFCD00019365DB-055416ST50407235
Database identifiers
- CAS
7045-70-7- PubChem CID
- 522382
- DTXSID
DTXSID40334937- EC Number
- 653-213-1
- Nikkaji
- J2.942.815H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 205 · 205-207°C
- Density
- 0.798 · 0.798±0.06 g/cm3(Predicted)
- Flash point
- 205 · 205-207°C
- CAS DataBase Reference
- 7045 · 7045-70-7(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39
- HazardClass
- 3 · 3
- PackingGroup
- II
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 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)
Safety data
- risk_code
- 11-36/37/38
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers10 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
海济医药科技（苏州）有限公司18012778619 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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