Basic information
- CAS
57491-33-5- Standard SMILES
CCCC/C=C/CCCCCCCCCC=O- InChIKey
AMTITFMUKRZZEE-AATRIKPKSA-N- Molecular formula
- C16H30O
- Average molar mass
- 238.41 g/mol
- Monoisotopic mass
- 238.22966558
Overview
11-hexadecenal has been reported in Diatraea saccharalis and Heliothis maritima with data available.
Names & identifiers
- Preferred name
- 11-Hexadecenal
- IUPAC
- (E)-hexadec-11-enal
- English name
- (E)-hexadec-11-enal
- Molecular formula
- C16H30O
- Molecular weight
- 238.41
Names & synonyms
11-HexadecenalRefChem:907982(E)-Hexadec-11-enal57491-33-5(e)-11-hexadecenal(11E)-hexadec-11-enal(11E)-11-Hexadecenal11e-hexadecenal11E-16CHO11-Hexadecenal, (11E)-E-11-HexadecenalEINECS 260-765-3
Show more names
AI3-3672611-Hexadecenal, (E)-SCHEMBL811762(11E)-11-Hexadecenal #SCHEMBL10976595DTXSID601016280LMFA06000092AKOS015901481
Database identifiers
- CAS
57491-33-5- PubChem CID
- 5283376
- DTXSID
DTXSID601016280- EC Number
- 260-765-3
- Nikkaji
- J296.713H、J60.913G
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Physicochemical properties
- Boiling point
- 118 · 118-121 °C(Press: 0.1 Torr)
- Density
- 0.84 · 0.840±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5+
- InChIKey
- AMTITFMUKRZZEE-AATRIKPKSA-N
- SMILES
- C(=O)CCCCCCCCC/C=C/CCCC
- LogP
- 6.618 · 6.618 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(11E)-11-Hexadecenal is a monounsaturated 16 carbon aldehyde found in pheromones of insects.
Upstream & downstream products
Downstream products
Suppliers23 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…