Basic information
- CAS
2565-83-5- Standard SMILES
COC/C=C(/C)CCC=C(C)C- InChIKey
AVJMJMPVWWWELJ-FLIBITNWSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
- IUPAC
- (2Z)-1-methoxy-3,7-dimethylocta-2,6-diene
- English name
- (Z)-1-methoxy-3,7-dimethylocta-2,6-diene
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
Neryl methyl ether2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-EINECS 219-897-7DTXSID508838652,6-Octadiene, 1-methoxy-3,7-dimethyl-, (Z)-RefChem:445857DTXCID701023347(Z)-1-Methoxy-3,7-dimethylocta-2,6-diene2565-83-5(2Z)-1-methoxy-3,7-dimethylocta-2,6-dieneNerol, methyl etherMFCD27965609
Show more names
geraniol methyl ether(2Z)-1-Methoxy-3,7-dimethyl-2,6-octadiene6-Octadiene, 1-methoxy-3,7-dimethyl-, (Z)-22,6-Octadiene,1-methoxy-3,7-dimethyl-, (2Z)-[(2Z)-3,7-Dimethyl-2,6-octadienyl]methyl ether
SCHEMBL356732AS-81128DB-267079NS00012826A11376(2Z)-1-methoxy-3,7-dimethyl-octa-2,6-dieneF813288
Database identifiers
- CAS
2565-83-5- PubChem CID
- 6436330
- DTXSID
DTXSID50883865- EC Number
- 219-897-7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 93 °C · 93 °C(Press: 10 Torr)
- Density
- 0.827 · 0.827±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.856 · 3.856 (est)
- EPA Substance Registry System
- 2 · 2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)- (2565-83-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (Z)-
Other Safety InformationIMAP assessments - Alkyl ethers of geraniol: Human health tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-: INACTIVE
Suppliers15 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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