HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Ethylcyclopentane

HCID 15431
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1640-89-7
Standard SMILES
CCC1CCCC1
InChIKey
IFTRQJLVEBNKJK-UHFFFAOYSA-N
Molecular formula
C7H14
Average molar mass
98.19 g/mol
Monoisotopic mass
98.10955045

Overview

Ethylcyclopentane is a cycloalkane.

Names & identifiers

Preferred name
Ethylcyclopentane
IUPAC
ethylcyclopentane
English name
ETHYLCYCLOPENTANE
Molecular formula
C7H14
Molecular weight
98.19

Names & synonyms

ETHYLCYCLOPENTANE1640-89-7Cyclopentane, ethyl-EINECS 216-686-1Q7W1V2C3DJNSC 74149BRN 1900271ETHYLCYLOPENTANENSC-74149UNII-Q7W1V2C3DJDTXSID5075109IFTRQJLVEBNKJK-UHFFFAOYSA-
Show more names
ethyl-cyclopentan1-EthylcyclopentaneEthylcyclopentane>ETHYLCYCLOPENTANE ISO 9001:2015 REACH
4-05-00-00104 (Beilstein Handbook Reference)Cyclopentane, ethylRefChem:139113DTXCID8035265216-686-1IFTRQJLVEBNKJK-UHFFFAOYSA-NInChI=1/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3MFCD00001389

Database identifiers

CAS
1640-89-7
PubChem CID
15431
DTXSID
DTXSID5075109
ChEBI
CHEBI:187086
UNII
Q7W1V2C3DJ
EC Number
216-686-1
Nikkaji
J23.249A

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
7
Formal charge
0
Complexity
42

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure39.8 [mmHg]
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
138 °C · −138 °C(lit.)
Boiling point
103 °C · 103 °C(lit.)
Density
0.763 g/mL · 0.763 g/mL at 25 °C(lit.)
vapor density
1 · >1 (vs air)
vapor pressure
72.8 mm · 72.8 mm Hg ( 37.7 °C)
refractive index
20 · n20/D 1.419(lit.)
Flash point
60 °F · 60 °F

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 · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCyclopentane, ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses general anesthesia, convulsions, and respiratory depression in inhalation lethal-concentration studies of mice; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Methylcyclopentane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLCLo (mouse) = 110,000 mg/m3

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
GY4450000
ridadr
UN 3295 3/PG 2
hs_code
2902.19.0050

Chemistry & industry

Upstream & downstream products

Downstream products

METHYLENECYCLOPENTANE2-Methylhexane1-METHYL-1-CYCLOHEXENE

Additional notes

DefinitionChEBI: Ethylcyclopentane is a cycloalkane.

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
solubility
Soluble in acetone, alcohol, benzene, ether, and petroleum (Weast, 1986)
form
clear liquid
color
Colorless to Almost colorless
explosive limit
6.7 % · 6.7%
Water Solubility
21.9 at · In mg/kg: 21.9 at 70.5 °C, 52.5 at 113 °C, 224 at 168.5 °C, 759 at 203 °C (Guseva and Parnov, 1964)
Henry's Law Constant
14 · >14 (Schwarzenbach et al., 1993)
InChI
1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKey
IFTRQJLVEBNKJK-UHFFFAOYSA-N
SMILES
CCC1CCCC1
CAS DataBase Reference
1640 · 1640-89-7
EWG's Food Scores
1 · 1
FDA UNII
7 W1V2C3DJ · Q7W1V2C3DJ
EPA Substance Registry System
Cyclopentane, ethyl- (1640-89-7)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02
Signal word
Danger
Hazard statements
225 · H225
Precautionary statements
501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F
Risk Statements
11 · 11
Safety Statements
16 · 16-29-33
RIDADR
3295 · UN 3295 3/PG 2
WGK Germany
3 · 3
RTECS
4450000 · GY4450000
Autoignition Temperature
500 °F · 500 °F
HS Code
2902.19 · 2902.19.0050
HazardClass
3.1 · 3.1
PackingGroup
II
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 · Flam. Liq. 2
risk_code
11
Signal word
Danger
Symbol(GHS)
GHS02
hazard_code
F
safety_code
16-29-33
hazard_class
3.1
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H225
Hazard Classifications
Flam. Liq. 2
Autoignition Temperature
500 °F
Precautionary statements
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235