Basic information
- CAS
29949-27-7- Standard SMILES
CCCCCC1CCCCC1- InChIKey
HLTMUYBTNSVOFY-UHFFFAOYSA-N- Molecular formula
- C11H22
- Average molar mass
- 154.29 g/mol
- Monoisotopic mass
- 154.1721507
Names & identifiers
- Preferred name
- Pentylcyclohexane
- IUPAC
- pentylcyclohexane
- English name
- N-PENTYLCYCLOHEXANE
- Molecular formula
- C11H22
- Molecular weight
- 154.29
Names & synonyms
Show more names
Database identifiers
- CAS
29949-27-7、4292-92-6- PubChem CID
- 20284
- DTXSID
DTXSID2063399- EC Number
- 224-296-8
- Nikkaji
- J25.439H
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 80
Experimental & physicochemical properties
Kovats Retention Index
1121;1126.52;1130.6;1133.26;1127;1139;1122;1147;1130;1134;1122
1130.2;1134.7;1136;1130.2;1134.7;1136;1132.42;1136.64;1139.51;1128;1137;1155;1130;1130;1135.3;1140.8;1136.9
1288;1293;1299;1304;1309;1315;1320
Physicochemical properties
- Melting point
- -57.5 °C · -57.5 °C
- Boiling point
- 202 °C · 202 °C
- Density
- 0 · 0,8 g/cm3
- Flash point
- 63 ° · 63°(145°F)
- refractive index
- 1.4445 · 1.4445
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 7.1 · 7.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 5.736 · 5.736 (est)
- CAS DataBase Reference
- 4292 · 4292-92-6(CAS DataBase Reference)
- EPA Substance Registry System
- Cyclohexane, pentyl- (4292-92-6)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 227 · H227-H410-H400
- Precautionary statements
- 210 e-P280a-P370+P378a-P501a-P210-P273-P280-P370+P378-P391-P403+P235-P501 · P210e-P280a-P370+P378a-P501a-P210-P273-P280-P370+P378-P391-P403+P235-P501
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · 1993
- TSCA
- TSCA listed
- HS Code
- 2902.19 · 2902.19.0050
- HazardClass
- 3 · 3
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Toxicology
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2902.19.0050
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H227-H410-H400
- Precautionary statements
- P210e-P280a-P370+P378a-P501a-P210-P273-P280-P370+P378-P391-P403+P235-P501
Chemistry & industry
Uses & manufacturing
Suppliers40 total
Related reactions
Compound notes
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