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Basic information
- CAS
4488-57-7- Standard SMILES
C1=CC2C3CCC(C3)C2C1- InChIKey
HANKSFAYJLDDKP-UHFFFAOYSA-N- Molecular formula
- C10H14
- Average molar mass
- 134.22 g/mol
- Monoisotopic mass
- 134.10955045
Names & identifiers
- Preferred name
- Dihydrodicyclopentadiene
- IUPAC
- tricyclo[5.2.1.02,6]dec-3-ene
- English name
- 5,6-DIHYDRODICYCLOPENTADIENE
- Molecular formula
- C10H14
- Molecular weight
- 134.22
Names & synonyms
Dihydrodicyclopentadiene3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indeneTricyclo(5.2.1.0(2,6))dec-4-enetricyclo[5.2.1.02,6]dec-3-eneTricyclo(5.2.1.0(2,6))dec-3-ene4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-EINECS 224-778-8NSC 224624,7-Methanoindene, 3a,4,5,6,7,7a-hexahydro-Tricyclo[5.2.1.0(2,6)]dec-3-ene3a,4,7,7a-Tetrahydro-4,7-methanoindanUNII-4Y71GL377S
Show more names
Nsc22462hexahydromethanoindeneSteriochemistry unspecified8,9-DIHYDRODICYCLOPENTADIENE3,4-DIHYDRODICYCLOPENTADIENE5,6-DIHYDRODICYCLOPENTADIENE
AI3-513553a,4,5,6,7,7a-Hexahydro-4,7-methanoindeneDTXSID70884076EC 224-778-84Y71GL377SNSC-22462Tricyclo[5.2.1.0(2,6)]dec-4-eneTRICYCLO(5.2.1.02,6)DEC-3-ENE
Database identifiers
- CAS
4488-57-7- PubChem CID
- 95605
- DTXSID
DTXSID70884076- EC Number
- 224-778-8
- Nikkaji
- J65.414K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 49 °C · 49°C
- Boiling point
- 180 °C · 180 °C
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- vapor pressure
- 1.867 hPa · 1.867hPa at 20℃
- form
- Crystalline
- color
- White or Colorless
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.78 at · 2.78 at 25℃ and pH7
- CAS DataBase Reference
- 4488 · 4488-57-7
- FDA UNII
- 4 Y71GL377S · 4Y71GL377S
- EPA Substance Registry System
- 4 · 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro- (4488-57-7)
- Symbol(GHS)
- 2 · GHS02,GHS09,GHS06
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 90 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-
4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12608
Other Safety InformationIMAP assessments - 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2902.19.0050
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS09,GHS06
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 4,844,179 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesSoil amendments (fertilizers)
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-: ACTIVE
Applications
Uses5,6-Dihydrodicyclopentadiene is a chemical intermediate used in preparation of Tetrahydrodicyclopentadiene (T795383), a volatile organic pollutant.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers42 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
4 records
Compound notes
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