Pentylcyclohexane

HCID 20284

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

PENTYLCYCLOHEXANE4292-92-61-CyclohexylpentaneCyclohexane, pentyl-EINECS 224-296-8DTXSID2063399nPentylcyclohexane1CyclohexylpentaneCyclohexane, pentylRefChem:860097DTXCID8040193224-296-8
Show more names
cyclohexane,pentyl-pentyl-cyclohexanAmylcyclohexane >pentane,1-cyclohexyl-Pentane, 1-cyclohexyl-
InChI=1/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1Hn-Pentylcyclohexanen-AmylcyclohexaneAmylcyclohexaneMFCD00019402Cyclohexane, n-pentyl-pentyl-cyclohexanen-Amyl cyclohexane

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

Experimental & physicochemical properties

Physical DescriptionColorless liquid with a mild odor; [Alfa Aesar MSDS]
Kovats Retention Index · 3 items

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Cyclohexane.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%);Eye Irrit. 2 (97.5%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

tsca
TSCA listed
ridadr
1993
hs_code
2902.19.0050
risk_code
10
Signal word
Warning
Symbol(GHS)
GHS09

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexane, pentyl-: INACTIVE

Suppliers40 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

1 records

Compound notes

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