Basic information
- CAS
40267-72-9- Standard SMILES
CCOCC=C(C)CCC=C(C)C- InChIKey
LOUIMJFJROISMD-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 1-Ethoxy-3,7-dimethylocta-2,6-diene
- IUPAC
- 1-ethoxy-3,7-dimethylocta-2,6-diene
- English name
- Ethyl geranyl ether
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
1-Ethoxy-3,7-dimethylocta-2,6-dieneRefChem:432227254-867-7neryl ethyl etherSCHEMBL560299NS00088920I83864GERANYL ETHYL ETHERNOVOROSANEthyl geraniolethylgeranylether1-ethoxy-3,7-dimethyl-6-octadiene
Show more names
1-Ethoxy-3,7-dimethylocta-2,6-dien3,7-DIMETHYL-2,6-OCTADIEN-1-ETHOXY2,6-Dimethyl-8-ethoxy-2,6-octadiene6-Octadiene,1-ethoxy-3,7-dimethyl-21-ethoxy-3,7-dimethyl-2,6-octadiene
Database identifiers
- CAS
40267-72-9- PubChem CID
- 38415
- DTXSID
DTXSID1068223- EC Number
- 254-867-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 255.73 °C · 255.73°C (rough estimate)
- Density
- 0.8844 · 0.8844 (rough estimate)
- refractive index
- 1.505 · 1.5050 (estimate)
- FLAVIS Number
- 3.015 · 03.015 | Ethyl geranyl ether
- Odor
- 100 % · at 100.00 %. diffusive ethereal fruity green
- Odor Type
- fruity
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.388 · 4.388 (est)
- CAS DataBase Reference
- 40267 · 40267-72-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- Geranylethyl ether(40267-72-9)
- EPA Substance Registry System
- 2 · 2,6-Octadiene, 1-ethoxy-3,7-dimethyl- (40267-72-9)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Applications
UsesEthyl Geranylether can be used for odor masking compositions containing fragrant substances for hair cosmetics.
Preparation methods
PreparationFrom Geranyl chloride plus Sodium cthoxide in Ethyl alcohol. Also from Linalool by isomerization under ethylalcoholic conditions.
Suppliers28 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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