CAS No.58594-45-9,Z-13-OCTADECEN-1-AL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58594-45-9
Name:	Z-13-OCTADECEN-1-AL
Article Data:	5

Formula:	C₁₈H₃₄O
Molecular Weight:	266.467
Synonyms:	cis-13-Octadecenal;(Z)-13-Octadecenal;13-Octadecenal,(Z)-;
EINECS:	261-349-4
Density:	0.841 g/cm³
Boiling Point:	356 °C at 760 mmHg
Flash Point:	179.2 °C
Solubility:	Insoluble in water
Appearance:	colorless to yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	UN1993
PSA:	17.07000
LogP:	6.22280

Synthetic route

: C19H36O

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran; water at 55℃; for 10h;	95%

: 69820-27-5
(Z)-octadec-13-en-1-ol

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
With pyridinium chlorochromate In dichloromethane at 20℃; for 3h;	75%
With dipyridinium dichromate In dichloromethane for 24h;	60%
With Py*HClCrO3
With pyridinium chlorochromate In dichloromethane at 20℃; for 16h;

: 82260-32-0, 142524-63-8
4-(Z)-nonenemagnesium bromide

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 54 percent / Li2CuCl4 / tetrahydrofuran / 3 h / -10 °C 2: 53 percent / pyridinium p-toluenesulfonate / methanol / 6 h / 55 °C 3: 60 percent / pyridinium dichromate / CH2Cl2 / 24 h View Scheme

: 130253-49-5
1-tetrahydropyranyloxy-13-(Z)-octadecene

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 53 percent / pyridinium p-toluenesulfonate / methanol / 6 h / 55 °C 2: 60 percent / pyridinium dichromate / CH2Cl2 / 24 h View Scheme
Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / ethanol / 80 °C 2: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid / methanol / 16 h / 20 °C 2: pyridinium chlorochromate / dichloromethane / 16 h / 20 °C View Scheme

: 1120-34-9
methyl cis-13-docosenoate

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: (i) O3, (ii) Ph3P 3: LiAlH4 / diethyl ether / Heating 4: Py*HClCrO3 View Scheme

: 1608-77-1
methyl 12-formyldodecanoate

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: LiAlH4 / diethyl ether / Heating 3: Py*HClCrO3 View Scheme

: 13058-55-4
cis-13-octadecenoic acid, methyl ester

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether / Heating 2: Py*HClCrO3 View Scheme

: 146176-63-8
(Z)-1-(tetrahydropyran-2-yloxy)-4-nonene

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: pyridinium p-toluenesulfonate / methanol / 80 °C 2: pyridine 3: dilithium tetrachlorocuprate; magnesium / tetrahydrofuran 4: pyridinium p-toluenesulfonate / ethanol / 80 °C 5: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme

: 59499-28-4
(Z)-4-nonen-1-ol

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: pyridine 2: dilithium tetrachlorocuprate; magnesium / tetrahydrofuran 3: pyridinium p-toluenesulfonate / ethanol / 80 °C 4: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme

: 83165-98-4
1-tosyloxynon-4Z-ene

: 58594-45-9
(Z)-13-octadecenal

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dilithium tetrachlorocuprate; magnesium / tetrahydrofuran 2: pyridinium p-toluenesulfonate / ethanol / 80 °C 3: pyridinium chlorochromate / dichloromethane / 3 h / 20 °C View Scheme

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Specification

The 13-Octadecenal, (13Z)-, with the CAS registry number 58594-45-9, is also known as 13-Octadecenal, (Z)-. Its EINECS registry number is 261-349-4. This chemical's molecular formula is C₁₈H₃₄O and molecular weight is 266.46. Its IUPAC name is called (Z)-octadec-13-enal.

Physical properties of 13-Octadecenal, (13Z)-: (1)ACD/LogP: 7.83; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#Freely Rotating Bonds: 15; (5)Index of Refraction: 1.453; (6)Molar Refractivity: 85.68 cm³; (7)Molar Volume: 316.5 cm³; (8)Surface Tension: 30.5 dyne/cm; (9)Density: 0.841 g/cm³; (10)Flash Point: 179.2 °C; (11)Enthalpy of Vaporization: 60.12 kJ/mol; (12)Boiling Point: 356 °C at 760 mmHg; (13)Vapour Pressure: 3E-05 mmHg at 25°C.

Preparation of 13-Octadecenal, (13Z)-: this chemical can be prepared by octadec-13c-en-1-ol. This reaction will need reagent Py•HClCrO₃.

13-Octadecenal, (13Z)- can be prepared by octadec-13c-en-1-ol

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC=CCCCCCCCCCCCC=O
(2)Isomeric SMILES: CCCC/C=C\CCCCCCCCCCCC=O
(3)InChI: InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
(4)InChIKey: QIRGIHPYVVKWTO-WAYWQWQTSA-N