Basic information
- CAS
51534-36-2- Standard SMILES
CCCCCCCCCCC/C=C/C=O- InChIKey
WHOZNOZYMBRCBL-OUKQBFOZSA-N- Molecular formula
- C14H26O
- Average molar mass
- 210.36 g/mol
- Monoisotopic mass
- 210.19836545
Names & identifiers
- Preferred name
- (E)-2-Tetradecenal
- IUPAC
- (E)-tetradec-2-enal
- English name
- trans-2-Tetradecenal
- Molecular formula
- C14H26O
- Molecular weight
- 210.36
Names & synonyms
TRANS-2-TETRADECENAL(E)-tetradec-2-enal(E)-2-tetradecenal51534-36-22-Tetradecenal, (E)-2-Tetradecenal, (2E)-FEMA No. 4209USP752EG6PDTXSID40199503RefChem:1050896DTXCID30121994Tetradecenal
Show more names
TETRADEC-2-ENALe-2-Tetradecenal2-tetradecen-1-al
Tetradec-2-enal [FHFI]trans-2-Tetradecen-1-alUNII-USP752EG6P2-tetradecenal, E(2E)-2-tetradecenalSCHEMBL548520SCHEMBL17379412-TETRADECENAL, TRANS-
Database identifiers
- CAS
51534-36-2、64461-99-0- PubChem CID
- 5283366
- ChEMBL
CHEMBL2228453- ChEBI
CHEBI:177516- UNII
- USP752EG6P
- EC Number
- 639-606-0
- Nikkaji
- J346.315J、J498.766G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
Density0.833-0.841
Solubility
Practically insoluble to insoluble in water; soluble in non-polar solvents
Soluble (in ethanol)
Boiling Point
299.00 to 300.00 °C. @ 760.00 mm Hg
88-89 °C (0.2 mm Hg)
Refractive Index1.455-1.562
Physical DescriptionColourless liquid; Citrus aroma
Kovats Retention Index
1673.2；1674；1670.1；1673
2012；2059；2078；2107；2098
1645；1645
Physicochemical properties
- Boiling point
- 84 · 84-86 °C(Press: 0.1 Torr)
- Density
- 0.839 · 0.839±0.06 g/cm3(Predicted)
- FEMA
- 4209 · 4209 | TETRADEC-2-ENAL
- FLAVIS Number
- 5.179 · 05.179 | (E)-Tetradec-2-enal
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 12.5% (11 of 88) of reports.
Warning
H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 88 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 11 of 88 reports by companies.；There is 1 notification provided by 77 of 88 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesSkin Irrit. 2 (87.5%)；Eye Irrit. 2 (87.5%)
Regulatory information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers4 total
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海兰科化学有限公司021-61916491 15921747686 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Additional notes
DefinitionChEBI: (2E)-2-Tetradecenal is a fatty aldehyde.
Related reactions
4 records
Compound notes
Loading…