Basic information
- CAS
2613-69-6- Standard SMILES
CC1CCC(C)C1C- InChIKey
VCWNHOPGKQCXIQ-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1,2,3-Trimethylcyclopentane
- IUPAC
- 1,2,3-trimethylcyclopentane
- English name
- (1α,2α,3α)-1,2,3-Trimethylcyclopentane
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
1,2,3-TrimethylcyclopentaneCyclopentane, 1,2,3-trimethyl-DTXSID40864648RefChem:71437Cyclopentane, 1,2,3trimethylDTXCID50813142867-273-32815-57-82613-69-61,2,3-trimethylcyclopentane, Mixture of diastereomers1-cis-2-trans-3-Trimethylcyclopentane(1alpha,2alpha,3alpha)-1,2,3-Trimethylcyclopentane
Show more names
Cyclopentane, 1,2,3-trimethyl-, (1α,2α,3α)-VCWNHOPGKQCXIQ-RNLVFQAGSA-N(1α,2α,3α)-1,2,3-Trimethylcyclopentanecis-1,2,cis-1,3-1,2,3-Trimethylcyclopentanecis-1,2,cis-1,3-1,2,3-Trimethylcyclopentane in cyclohexane1-cis-2-cis-3-Trimethylcyclopentane (~25% solution in Mesitylene) (Technical Grade)
1,cis-2,cis-3-trimethylcyclopentane1,2,3-Trimethylcyclopentane, (Z,Z)-1,2,3-Trimethylcyclopentane, cis, cisCIS,CIS,TRANS-1,2,3-TRIMETHYLCYCLOPENTANE1,2,3-trimethyl-cyclopentaneSCHEMBL1864668SCHEMBL1864669SCHEMBL4934762
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.1
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -116.43 °C · -116.43°C
- Boiling point
- 123 °C · 123°C
- Density
- 0.7751 · 0.7751
- refractive index
- 1.4238 · 1.4238
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform, Mesitylene, Methanol
- form
- Colourless Solution
- Henry's Law Constant
- 1.1 · 1.1×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Stability
- Volatile
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 224 · H224
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
Danger
H224 (100%): Extremely 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 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Hazards SummarySee Methylcyclopentane.
Hazard Classes and Categories
Flam. Liq. 1 (100%)
Flam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H224
Chemistry & industry
Applications
Uses1-cis-2-cis-3-Trimethylcyclopentane, is one of the potential volatile compounds migrants from acrylic-base adhesives used in food-contact materials.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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