Basic information
- CAS
27476-50-2- Standard SMILES
CC1=CCCC1- InChIKey
ATQUFXWBVZUTKO-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Overview
1-methylcyclopentene has been reported in Cinnamomum camphora and Oryza sativa with data available.
Names & identifiers
- Preferred name
- 1-Methylcyclopentene
- IUPAC
- 1-methylcyclopentene
- English name
- 1-Methylcyclopentene
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
1-METHYLCYCLOPENTENE693-89-01-Methyl-1-cyclopenteneCyclopentene, 1-methyl-V03M1DZC9IEINECS 211-762-0NSC 64657NSC-64657RefChem:434590Cyclopentene, 1-methyl-(8CI)Cyclopentene, 1-methyl-(8CI)(9CI)211-762-0
Show more names
1-Methyl-1-cyclopentanecyclopentene,1-methyl-METHYL-CYCLOPENTENECyc1opentene,l-methyl-1-Cyclopentene, 1-methyl1-Methylcyclopentene,96%
InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H1-methylcyclopent-1-eneCyclopentene, methyl-MethylcyclopenteneUNII-V03M1DZC9I27476-50-2MFCD000013971-methylcyclopentene-1
Database identifiers
- CAS
27476-50-2、693-89-0- PubChem CID
- 12746
- DTXSID
DTXSID50870755- UNII
- V03M1DZC9I
- EC Number
- 211-762-0
- Nikkaji
- J22.894J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 70.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -142 °C · -142°C
- Boiling point
- 75 · 75-77 °C(lit.)
- Density
- 0.78 g/mL · 0.78 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.432
- Flash point
- 1 °F · 1 °F
- storage temp.
- Flammables area
- form
- Liquid
- color
- Clear colorless
- BRN
- 1900640 · 1900640
- Henry's Law Constant
- 2.4 · 2.4×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- InChI
- InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
- InChIKey
- ATQUFXWBVZUTKO-UHFFFAOYSA-N
- SMILES
- C1(C)CCCC=1
- LogP
- 2.806 · 2.806 (est)
- CAS DataBase Reference
- 693 · 693-89-0(CAS DataBase Reference)
- FDA UNII
- 3 M1DZC9I · V03M1DZC9I
- NIST Chemistry Reference
- 1 · Cyclopentene, 1-methyl-(693-89-0)
- EPA Substance Registry System
- 1 · Cyclopentene, 1-methyl- (693-89-0)
- 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,Xn
- Risk Statements
- 11 · 11-65
- Safety Statements
- 16 · 16-62-7
- RIDADR
- 3295 · UN 3295 3/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29021990 · 29021990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Asp. Tox. 1Flam. Liq. 2
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- hs_code
- 29021990
- risk_code
- 11-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xn
- safety_code
- 16-62-7
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 2
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Applications
Uses1-Methylcyclopentene can be used as:A probe molecule in the synthesis of alkenyl carbenium ions via adsorption on zeolite Y.A model olefin compound in the kinetic study of hydrogenation of olefins using various catalytic systems.A reactant to synthesize 1,2,3-trisubstitutedbenzocyclopentenes by reacting with β-disulfonyl iodonium ylides.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
8 records
Compound notes
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