1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
Basic information
- CAS
67674-36-6- Standard SMILES
CC/C=C\CC/C=C/C(OCC)OCC- InChIKey
GCIRJCKOUVCUBZ-OFALOCIGSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- 1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
- IUPAC
- (2E,6Z)-1,1-diethoxynona-2,6-diene
- English name
- FEMA 3378
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
(2E,6Z)-1,1-Diethoxynona-2,6-diene67674-36-6DTXSID0047034diethoxynonadiene2-trans-6-cis-Nonadienal diethylacetalV5C72V7U8P2-trans-6-cis-Nonadienal diethyl acetal1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-EINECS 266-874-22,6-Nonadiene, 1,1-diethoxy-, (2E,6Z)-trans-2,cis-6-Nonadienal diethyl acetal(2E,6Z)-1,1-Diethoxy-2,6-nonadiene
Show more names
2E,6ZFEMA 3378NONADIENALDIETHYLACETAL2,6-NONADIENAL DIETHYL ACETAL2，6-Nonadienai diethyl acetal1,1-diethoxy-,(e,z)-6-nonadiene(E,Z)-1,1-Diethoxy-2,6-nonadiene6-Nonadiene,1,1-diethoxy-,(E,Z)-2
2,6-Nonadiene, 1,1-diethoxy-, (E,Z)-DTXCID8027034FEMA NO. 3378, (2E,6Z)-2,6-NONADIENAL DIETHYL ACETAL, TRANS,CIS-2,6-NONADIEN-1-AL DIETHYL ACETAL, (E,Z)-RefChem:409811DIETHOXYNONADIENE [INCI]266-874-2
Database identifiers
- CAS
67674-36-6- PubChem CID
- 6364671
- DTXSID
DTXSID0047034- ChEMBL
CHEMBL3188466- UNII
- V5C72V7U8P
- EC Number
- 266-874-2
- Nikkaji
- J333.288H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,6-Nonadienal diethyl acetal) -> IFRA transparency List
Density0.860-0.868
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point125 °C (4 mm Hg)
Refractive Index1.441-1.448
Physical Descriptioncolourless oily liquid with a fresh, green, cucumber odour
Physicochemical properties
- Boiling point
- 80 °C · 80 °C (0.3 mmHg)
- Density
- 0.85 · 0.85
- FLAVIS Number
- 6.025 · 06.025 | 1,1-Diethoxynona-2,6-diene
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 67.2% (78 of 116) of all reports.
Warning
H315 (31.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 116 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,6-Nonadiene, 1,1-diethoxy-, (E,Z)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2,6-Nonadiene, 1,1-diethoxy-, (2E,6Z)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2,6-Nonadiene, 1,1-diethoxy-, (E,Z)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (31.9%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H317
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2,6-Nonadiene, 1,1-diethoxy-, (2E,6Z)-: ACTIVE
Preparation methods
PreparationBy direct hydrogenation of the corresponding acetylenic acetal, using a palladium/calcium carbonet catalyst (2-cis,6-cis-form)
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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