Basic information
- CAS
554-61-0- Standard SMILES
CC1=CC2C(CC1)C2(C)C- InChIKey
IBVJWOMJGCHRRW-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Overview
3,7,7-Trimethylbicyclo[4.1.0]hept-2-ene is a monoterpenoid.
Names & identifiers
- Preferred name
- 2-Carene
- IUPAC
- 3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
- English name
- 2-Carene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
2-Carene3,7,7-Trimethylbicyclo[4.1.0]hept-2-ene554-61-0DTXSID008588214,7,7-trimethylbicyclo[4.1.0]hept-4-ene4,7,7-trimethylbicyclo(4.1.0)hept-4-ene3,7,7-TRIMETHYLBICYCLO(4.1.0)HEPT-2-ENEBicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-RefChem:468189DTXCID70809567F03R774450
Show more names
delta-4-carenecar-2-eneCara-2-ene(±)-car-2-ene4-delta-carene3,7,7-trimethylbicyclo[4.1.0]-2-heptenebicyclo[4.1.0]hept-2-ene,3,7,7-trimethyl-
delta-2-carenecarene <delta-2->SCHEMBL305407CHEMBL2286984CHEBI:184750AKOS025295339DB-070610NS00122154
Database identifiers
- CAS
554-61-0- PubChem CID
- 79044
- DTXSID
DTXSID00858821- ChEMBL
CHEMBL2286984- ChEBI
CHEBI:184750- EC Number
- 701-285-0
- Nikkaji
- J109.974D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
LogP4.44
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 167.55 °C · 167.55°C
- Density
- 0.8455 · 0.8455 (estimate)
- refractive index
- 1.474 · 1.4740
- form
- Liquid
- LogP
- 4.44 · 4.440
- FDA UNII
- 3 R774450 · F03R774450
- Symbol(GHS)
- 8 · GHS08,GHS02,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 317 · H317-H315-H304-H411-H226-H400
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 1993 · 1993
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- REACH Registrations
- Active
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Reaction mass of (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene and (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene (EC: 701-285-0)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1993
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02,GHS07,GHS09
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H317-H315-H304-H411-H226-H400
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers3 total
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
Additional notes
DefinitionChEBI: 3,7,7-Trimethylbicyclo[4.1.0]hept-2-ene is a monoterpenoid.
Related reactions
1 records
Compound notes
Loading…