7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene
Basic information
- CAS
74851-17-5- Standard SMILES
CC1(C)C2CC=C(CCOCc3ccccc3)C1C2- InChIKey
VZTCOMJNYWLOOB-UHFFFAOYSA-N- Molecular formula
- C18H24O
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.18271539
Names & identifiers
- Preferred name
- 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene
- IUPAC
- 6,6-dimethyl-2-(2-phenylmethoxyethyl)bicyclo[3.1.1]hept-2-ene
- English name
- (1R)-(-)-Nopol benzyl ether
- Molecular formula
- C18H24O
- Molecular weight
- 256.38
Names & synonyms
74851-17-57,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-eneRefChem:3098866,6-dimethyl-2-(2-phenylmethoxyethyl)bicyclo[3.1.1]hept-2-eneDTXSID80996356VZTCOMJNYWLOOB-UHFFFAOYSA-N2-[2-(Benzyloxy)ethyl]-6,6-dimethylbicyclo[3.1.1]hept-2-eneAKOS024285101259532-27-9ST0813842-[2-(Benzyloxy)ethyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene #[2-((1S,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethoxy]phenylmethane
Show more names
(1R)-(-)-Nopol benzyl etherBicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-2-[2-(phenylmethoxy)ethyl]-, (1R,5S)-
Bicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-2-[2-(phenylmethoxy)ethyl]-, (1S)-
Database identifiers
- CAS
74851-17-5- PubChem CID
- 53131
- DTXSID
DTXSID80996356- EC Number
- 119-245-0
- Nikkaji
- J2.305.733F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 112 · 112-114 °C0.025 mm Hg(lit.)
- Density
- 0.982 g/mL · 0.982 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5204(lit.)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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