CAS No.6728-31-0,CIS-4-HEPTENAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6728-31-0
Name:	CIS-4-HEPTENAL
Article Data:	14

Formula:	C₇H₁₂O
Molecular Weight:	112.172
Synonyms:	4-Heptenal,(Z)- (8CI);(4Z)-Heptenal;(Z)-4-Heptenal;4-cis-Heptenal;cis-4-Heptenal;FEMA No. 3289;Propylidenebutyraldehyde;UNII-5BJ99WWP64;
EINECS:	229-779-7
Density:	0.83 g/cm³
Melting Point:	-53.35°C (estimate)
Boiling Point:	151.6 °C at 760 mmHg
Flash Point:	35.2 °C
Appearance:	colorless to light yellow liquid
Risk Codes:	10
Safety:	16
Transport Information:	UN 1989
PSA:	17.07000
LogP:	1.93170

Synthetic route

: 6191-71-5
(Z)-4-hepten-1-ol

: 6728-31-0
(Z)-4-heptenal

: 18492-65-4
7,7-diethoxy-hept-3c-ene

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
With formic acid

: 36872-14-7
2-hex-3-enyl-4,4,6-trimethyl-[1,3]oxazinane

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
With oxalic acid

: 928-96-1
(Z)-3-Hexen-1-ol

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
Multistep reaction;
Multi-step reaction with 3 steps 1: PBr3, Py 2: (i) Mg, (ii) /BRN= 1719716/ 3: HCO2H View Scheme

: 5009-31-4
(Z)-1-Bromo-3-hexene

: 201230-82-2
carbon monoxide

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; under 49400 Torr; for 3h;	80 % Chromat.

: 530086-82-9
(Z)-2-(hept-4-en-1-yloxy)tetrahydro-2H-pyran

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 74 percent / conc. H2SO4 / acetone; H2O / 20 °C 2: 65 percent / NACAA / CH2Cl2; pyridine / 0.33 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid / methanol / 15 h / 20 °C 2: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene / dichloromethane / 1 h / 20 °C View Scheme

: 16400-32-1
1-bromo-pent-2-yne

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 60 percent / benzene / 12 h / Heating 2: 65 percent / NaCl, H2O / dimethylsulfoxide / 8 h / 160 °C 3: 76 percent / LAH, EtOH / diethyl ether 4: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 5: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme

: 42397-24-0
hept-4-yn-1-ol

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 2: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme

: 6261-22-9
pent-2-yn-1-ol

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 77 percent / PBr3, pyridine / diethyl ether / Ambient temperature 2: 60 percent / benzene / 12 h / Heating 3: 65 percent / NaCl, H2O / dimethylsulfoxide / 8 h / 160 °C 4: 76 percent / LAH, EtOH / diethyl ether 5: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 6: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme

: 98442-18-3
ethyl 2-carbethoxy-hept-4-yn-1-oate

: 6728-31-0
(Z)-4-heptenal

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 65 percent / NaCl, H2O / dimethylsulfoxide / 8 h / 160 °C 2: 76 percent / LAH, EtOH / diethyl ether 3: 80 percent / H2, quinoline / Lindlar's catalyst / hexane 4: 58 percent / pyridinium chlorochromate, NaOAc / CH2Cl2 / 4 h View Scheme

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Specification

The 4-Heptenal, (4Z)-, with the CAS registry number 67284-57-5, is also known as 4-cis-Heptenal. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; G-H; Alpha Sort; E-L; Volatiles/Semivolatiles. Its EINECS number is 229-779-7. This chemical's molecular formula is C₇H₁₂O and formula weight is 112.17. What's more, its IUPAC name is (Z)-hept-4-enal. It is flammable, so you should keep it away from sources of ignition - No smoking. Its storage temperature is 0-6°C.

Physical properties of 4-Heptenal, (4Z)- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.427; (8)Molar Refractivity: 34.72 cm³; (9)Molar Volume: 135 cm³; (10)Surface Tension: 26.6 dyne/cm; (11)Density: 0.83 g/cm³; (12)Flash Point: 35.2 °C; (13)Enthalpy of Vaporization: 38.84 kJ/mol; (14)Boiling Point: 151.6 °C at 760 mmHg; (15)Vapour Pressure: 3.64 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CCCC=O
(2)Isomeric SMILES: CC/C=C\CCC=O
(3)InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
(4)InChIKey: VVGOCOMZRGWHPI-ARJAWSKDSA-N