(Z)-9-Hexadecenal
Basic information
- CAS
56219-04-6- Standard SMILES
CCCCCC/C=C\CCCCCCCC=O- InChIKey
QFPVVMKZTVQDTL-FPLPWBNLSA-N- Molecular formula
- C16H30O
- Average molar mass
- 238.41 g/mol
- Monoisotopic mass
- 238.22966558
Overview
9Z-Hexadecenal is a monounsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- (Z)-9-Hexadecenal
- IUPAC
- (Z)-hexadec-9-enal
- English name
- (Z)-hexadec-9-enal
- Molecular formula
- C16H30O
- Molecular weight
- 238.41
Names & synonyms
(Z)-9-Hexadecenal56219-04-69-Hexadecenal, (9Z)-NXO9ML6I2EDTXSID5041194RefChem:549388DTXCID3021194260-064-2(Z)-Hexadec-9-enalcis-9-Hexadecenal(9Z)-9-Hexadecenal9Z-Hexadecenal
Show more names
(z)-9-hexadecena9Z-16CHOhexadec-9-enal(Z)-Hexadec-9-el
CIS-9-HEXADECENAL, 959-Hexadecenal, (Z)-EINECS 260-064-2(9Z)-HEXADEC-9-ENALZ-9-HEXADECENAL9Z-HEXADECEN/AL , 95 %MFCD00010126Palmitolealdehyde
Database identifiers
- CAS
56219-04-6- PubChem CID
- 5364643
- DTXSID
DTXSID5041194- ChEBI
CHEBI:179683- UNII
- NXO9ML6I2E
- EC Number
- 260-064-2
- Nikkaji
- J719F
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]
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Physicochemical properties
- Boiling point
- 330.9 · 330.9±21.0 °C(Predicted)
- Density
- 0.84 · 0.840±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.46 · 1.4600 (25℃)
- Flash point
- 62 °C · 62 °C
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Brown
- Stability
- Air Sensitive, Hygroscopic
- InChI
- InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
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
Warning
H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 2229/2004
2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160
Hazard Classes and CategoriesSkin Irrit. 2 (98.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9-Hexadecenal, (9Z)-: ACTIVE
Applications
Uses(Z)-9-Hexadecenal is a component of the sex pheromone of the cotton bollworm Heliothis armigera.
UsesA component of the sex pheromone of the cotton bollworm Heliothis armigera.
Additional notes
DefinitionChEBI: 9Z-Hexadecenal is a fatty aldehyde.
Suppliers
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Related reactions
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Compound notes
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