Basic information
- CAS
557-48-2- Standard SMILES
CCC=CCC/C=C/C=O- InChIKey
HZYHMHHBBBSGHB-YCZBXKBJSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Overview
See also: Nona-2(trans),6(cis)-dienal (annotation moved to); trans-2,cis-6-Nonadienal (annotation moved to).
Names & identifiers
- Preferred name
- 2,6-Nonadienal, (2E,6Z)-
- IUPAC
- (2E)-nona-2,6-dienal
- English name
- FEMA 3377
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
2,6-Nonadienal, (2E,6Z)-557-48-2FEMA 3377SCHEMBL8579054AKOS028109034(E,Z)-2,6-nonadienal(2E,6Z)-Nonadienal(2E,6Z)-nona-2,6-dienaltrans,cis-2,6-NonadienalViolet leaf aldehydeNONADIENAL-2,6T2 C6 NONADIENAL
Show more names
CUCUMBER ALDEHYDE(e,z)-6-nonadienal
Database identifiers
- CAS
557-48-2- PubChem CID
- 6992048
- EC Number
- 209-178-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Nona-2-trans-6-cis-dienal) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 94 · 94-95 °C18 mm Hg(lit.)
- Density
- 0.86 g/mL · 0.86 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.474(lit.)
- FEMA
- 3377 · 3377 | NONA-2-TRANS-6-CIS-DIENAL
- FLAVIS Number
- 5.058 · 05.058 | Nona-2(trans),6(cis)-dienal
- Flash point
- 181 °F · 181 °F
- storage temp.
- Refrigerator
- solubility
- Soluble in ethanol and most non volatile oils, insoluble in water.
- form
- Oil
- color
- Sltly yellow liquid
- Odor
- powerful, violet-cucumber odor
- Odor Type
- green
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 6.9% (105 of 1526) of reports.
Warning
H315 (90.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1526 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,6-Nonadienal, (E,Z)-
2,6-Nonadienal, (2E,6Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (90.5%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RA5391800
- ridadr
- NA 1993 / PGIII
- hs_code
- 2912.19.5000
- Toxicity
- LD50 orl-rat: >5 g/kg FCTOD7 20,769,82
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Nonadienal in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information2,6-Nonadienal, (2E,6Z)-: ACTIVE
Applications
OccurrenceReported as naturally occurring in violet leaves and flowers, in cucumber, sweet and sour cherry, guava, peas, tomato, potato, bell pepper, wheat bread, rye bread, milk, milk powder, fish and fish oil, roast chicken, guinea hen, beef, beer, coffee, tea, oats, mango, kelp, prickly pear, malt, dried bonito, endive, oysters, clam and mate.
Usestrans-2,cis-6-Nonadienal is an unsaturated aldehyde that is responsible for the cucumber smell of Synura petersenii, a freshwater colonial flagellate. trans-2,cis-6-Nonadienal is also a common natural and drinking water contaminant.
General Descriptiontrans-2,cis-6-Nonadienal is the key contributor to the cucumber flavor. It is also found in mango ripened anchovy and kelp. Unialgal cultures of various Synurophycean species for the occurrence of trans-2,cis-6-nonadienal have been investigated.
Preparation methods
PreparationFrom natural hexenol
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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