Basic information
- CAS
5331-32-8- Standard SMILES
COC1CC2CCC1(C)C2(C)C- InChIKey
ZRHVOKYSOWTPIG-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Overview
2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane has been reported in Zingiber officinale with data available.
Names & identifiers
- Preferred name
- Isobornyl methyl ether
- IUPAC
- 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
- English name
- (+/-)-Isobornyl methyl ether
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
exo-2-MethoxybornaneIsoborneol methyl etherEther, isobornyl methylBornane, 2-methoxy-, exo-Isobornyl methyl etherNSC 2274EINECS 226-228-2exo-2-Methoxy-1,7,7-trimethylnorbornane5331-32-8Bicyclo(2.2.1)heptane, 2-methoxy-1,7,7-trimethyl-, exo-RefChem:149057Bornane, 2-methoxy-, exo-(8CI)
Show more names
exo-bornanisoborneolmethylether(±)-Isobornyl methyl etherBornane, 2-methoxy-, exo- (8ci)
(+/-)-Isobornyl methyl etherBicyclo(2.2.1)heptane, 2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel-Bicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel-Bornyl methyl etherBornylmethylatherexo-2-Methoxy-1,7,7-trimethylbicyclo(2.2.1)heptaneSCHEMBL196396SCHEMBL7265155
Database identifiers
- CAS
5331-32-8- PubChem CID
- 95330
- EC Number
- 226-228-2
- Nikkaji
- J443.418H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Isobornyl methyl ether) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 70 °C10 · 70 °C10 mm Hg(lit.)
- Density
- 0.921 g/mL · 0.921 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.462
- Flash point
- 61 ℃ · 61℃
- Odor
- 100 % · at 100.00 %. pine woody camphor borneol
- Odor Type
- balsamic
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.34 · 3.340
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel- (5331-32-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 (97.3%): Flammable liquid and vapor [Warning 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 1444 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Bicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl-, exo-
Bicyclo2.2.1heptane, 2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.3%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DT5078000
- ridadr
- UN 3271 3/PG 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel-: ACTIVE
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
BOC Sciences[email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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