Basic information
- CAS
53939-28-9- Standard SMILES
CCCC/C=C\CCCCCCCCCC=O- InChIKey
AMTITFMUKRZZEE-WAYWQWQTSA-N- Molecular formula
- C16H30O
- Average molar mass
- 238.41 g/mol
- Monoisotopic mass
- 238.22966558
Overview
(Z)-hexadec-11-enal is a hexadecenal containing a double bond at position 11 (the cis-stereoisomer). Major pheromone component detected in the whole-animal male Helicoverpa zea antennal preparations. It has a role as a pheromone and an epitope.
Names & identifiers
- Preferred name
- 11-Hexadecenal, (11Z)-
- IUPAC
- (Z)-hexadec-11-enal
- English name
- CIS-11-HEXADECENAL
- Molecular formula
- C16H30O
- Molecular weight
- 238.41
Names & synonyms
(Z)-11-Hexadecenal(Z)-Hexadec-11-enal11-Hexadecenal, (11Z)-DTXSID1032303733PD1I6EICHEBI:146175DTXCID9012303HEXADECENAL, (Z)-11-RefChem:437245cis-11-Hexadecenal53939-28-9Chokegard
Show more names
HexadecenalZ-1VIRELUREZ11-16CHOai3-3593711Z-16CHO(Z)-11-HDALhercondisrupt
Heliothis pheromone(11Z)-hexadec-11-enal11Z-Hexadecenal11-HEXADECENAL, (Z)-MFCD00010124Z-11-hexadecenalHercon disruptNomate chokegard
Database identifiers
- CAS
53939-28-9- PubChem CID
- 5364495
- DTXSID
DTXSID1032303- ChEMBL
CHEMBL3185124- ChEBI
CHEBI:146175- UNII
- 733PD1I6EI
- EC Number
- 258-876-7
- Nikkaji
- J706D
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
Collision Cross Section163.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1032303]
Physicochemical properties
- Boiling point
- 132 °C · 132 °C / 1mmHg
- Density
- 0.963 g/mL · 0.963 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 142 °F · 142 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- liquid
- color
- Colourless
- Odor
- 100 % · at 100.00%. waxy
Safety & regulation
GHS classification
GHS Classification
Danger
H304 (57.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P264+P265, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P331, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 182 reports by companies from 8 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 CategoriesAsp. Tox. 1 (57.1%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MM0350000
- ridadr
- UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- hs_code
- 2912.19.5000
- risk_code
- 36/37/38-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-36-61
- hazard_class
Chemistry & industry
Uses & manufacturing
General Manufacturing Information11-Hexadecenal, (11Z)-: ACTIVE
Applications
UsesFemale of the Heliothine species use (Z)-11-Hexadecenal as the major component of their sex pheromones.
Usescis-11-Hexadecenal has been used in the preparation of fatty aldehyde semicarbazone derivatives during their analysis by liquid chromatography-electrospray ionization-tandem mass spectrometery.
General Descriptioncis-11-Hexadecenal is the major pheromone component detected in the whole-animal male Helicoverpa zea antennal preparations.
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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