4-Propylbenzaldehyde supplier

Name
4-N-PROPYLBENZALDEHYDE
EINECS 249-221-6
CAS No. 28785-06-0
Article Data23
CAS DataBase
Density 0.985 g/cm³
Solubility
Melting Point 19 °C
Formula C₁₀H₁₂O
Boiling Point 239.907 °C at 760 mmHg
Molecular Weight 148.205
Flash Point 96.544 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzaldehyde,p-propyl- (8CI);4-(n-Propyl)benzaldehyde;p-Propylbenzaldehyde;
PSA 17.07000
LogP 2.45160

Synthetic route

: 2-(4-propyl-phenyl)-[1,3]dioxolane

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In water at 30℃; for 0.0833333h;	100%

: 89557-35-7
4-n-propylbenzaldehyde diethyl acetal

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
In(OSO2CF3)3 In acetone at 20℃; for 0.5h;	94%
With acetic acid In water for 17h; Heating;	91%
With trifluoroacetic acid In dichloromethane at 25℃; for 20h;	83%
With hydrogenchloride In tetrahydrofuran for 6.5h; Heating;

: 13402-36-3
1-propyl-1,3,5,7-cyclooctatetraene

A: 28785-06-0
4-n-propylbenzaldehyde

B: 59059-44-8
2-propylbenzaldehyde

C: 103528-31-0
3-propylbenzaldehyde

Conditions

Conditions	Yield
With oxygen; copper(l) chloride; palladium dichloride In tetrahydrofuran; water at 60℃; for 6h;	A 5% B 15% C 80%

...Expand

: 103-65-1
Propylbenzene

: 100-97-0
hexamethylenetetramine

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With trifluoroacetic acid at 80℃; Heating;	70%
In trifluoroacetic acid at 80℃;

: 3166-97-0
1-(Chloromethyl)-4-propylbenzene

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With hexamethylenetetramine In acetic acid
With ethanol; hexamethylenetetramine

: 79-37-8
oxalyl dichloride

: 103-65-1
Propylbenzene

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With aluminium trichloride; hydrogen; palladium on activated charcoal 1.) tetrachloroethane, rt, 30 min; 2.) 100 deg C, normal pressure or 50 deg C, 30 atm; AcONa can be added; Multistep reaction;

: 4885-02-3
Dichloromethyl methyl ether

: 103-65-1
Propylbenzene

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With titanium tetrachloride In chloroform at -20℃; for 0.75h;

: 52710-27-7
4-propylbenzoyl chloride

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With tributyl-amine; hydrogen; palladium on activated charcoal In benzene for 6h; Ambient temperature;

: 103-65-1
Propylbenzene

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. HCl, H3PO4 / acetic acid 2: urotropine / acetic acid View Scheme
Multi-step reaction with 2 steps 1: AlCl3 / trichloroethene / 0.5 h / Ambient temperature 2: H2; tributylamine / 10percent Pd/C / benzene / 6 h / Ambient temperature View Scheme

: 2438-05-3
4-n-propylbenzoic acid

: 28785-06-0
4-n-propylbenzaldehyde

: 1122-91-4
4-bromo-benzaldehyde

: 77047-87-1
isopropyl zinc bromide

A: 28785-06-0
4-n-propylbenzaldehyde

B: 122-03-2
(4-isopropylbenzaldehyde)

Conditions

Conditions	Yield
With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride In tetrahydrofuran; toluene at 0 - 20℃; for 3h; Negishi coupling reaction; Inert atmosphere;

...Expand

: 1254940-88-9
4-propylbenzaldehyde dimethyl acetal

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With water	14.6 %Chromat.

: C17H18N2O3S

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With sodium hydride In toluene at 20℃; for 1h; Inert atmosphere;

: 201230-82-2
carbon monoxide

: 103-65-1
Propylbenzene

: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; aluminum (III) chloride In hexane at -25 - 13℃; under 21446.5 - 24032.3 Torr; for 2.08333h; Catalytic behavior; Pressure; Temperature; Solvent; Reagent/catalyst; Gatterman-Koch Carbonylation; Autoclave; Sealed tube;	96.4 %Spectr.

: 1074-55-1
p-n-propyltoluene

A: 5337-93-9
4'-methylpropiophenone

B: 28785-06-0
4-n-propylbenzaldehyde

C: 208453-24-1
ethyl 4-formylphenyl ketone

Conditions

Conditions	Yield
With N-hydroxyphthalimide; oxygen; cobalt(II) diacetate tetrahydrate at 20℃; under 760.051 Torr;

...Expand

: 118-96-7
2,4,6-Trinitrotoluene

A: 67-47-0
5-hydroxymethyl-2-furfuraldehyde

B: 28785-06-0
4-n-propylbenzaldehyde

Conditions

Conditions	Yield
With culture of Trichoderma viride

: 2579-20-6
cis, trans-1,3-dimethylaminocyclohexane

: 28785-06-0
4-n-propylbenzaldehyde

: 1217526-85-6
C28H38N2

Conditions

Conditions	Yield
In methanol at 20℃; Molecular sieve;	100%
In methanol at 20℃; Molecular sieve;

: 28785-06-0
4-n-propylbenzaldehyde

: 109-77-3
malononitrile

: 1350895-74-7
C13H12N2

Conditions

Conditions	Yield
With poly(4-vinylpyridine)/AlPO4-11 In water at 20℃; Knoevenagel condensation;	98%
With porous hierarchical MgO/Mg(OH)2 In water at 60℃; for 0.0833333h; Knoevenagel Condensation;	94%

: 667-27-6
Ethyl bromodifluoroacetate

: 28785-06-0
4-n-propylbenzaldehyde

: 1359989-83-5
ethyl 2,2-difluoro-3-hydroxy-3-(4-propylphenyl)propanoate

Conditions

Conditions	Yield
Stage #1: Ethyl bromodifluoroacetate With zinc In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: 4-n-propylbenzaldehyde In tetrahydrofuran for 4h; Inert atmosphere; Reflux;	97.8%

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 28785-06-0
4-n-propylbenzaldehyde

: 1263037-12-2
ethyl 3-(4-propylphenyl)propionate

Conditions

Conditions	Yield
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester; 4-n-propylbenzaldehyde With sodium ethanolate In ethanol; toluene at 0 - 25℃; for 4h; Stage #2: With palladium on activated charcoal; hydrogen In isopropyl alcohol at 20℃;	95.5%

: 28785-06-0
4-n-propylbenzaldehyde

: 2-(2,4,5-trifluorophenyl)acetohydrazide

: N'-(4-propylbenzylidene)-2-(2,4,5-trifluorophenyl)acetohydrazide

Conditions

Conditions	Yield
With perchloric acid In ethanol at 20℃; for 0.5h;	94%

: 141-82-2
malonic acid

: 28785-06-0
4-n-propylbenzaldehyde

: 62718-61-0
(E)-3-(4-n-propylphenyl)acrylic acid

Conditions

Conditions	Yield
Stage #1: malonic acid; 4-n-propylbenzaldehyde With piperidine; pyridine Knoevenagel-Doebner reaction; Reflux; Stage #2: With hydrogenchloride In water Cooling with ice; optical yield given as %de;	92%
With piperidine In pyridine at 120℃; for 4h;
With piperidine In pyridine
In pyridine at 80℃; for 2h;

: 28785-06-0
4-n-propylbenzaldehyde

: 108-24-7
acetic anhydride

: C14H18O4

Conditions

Conditions	Yield
With beta zeolite modified with chlorosulphonic acid (28 wtpercent) at 20℃; Neat (no solvent);	86%

: 28785-06-0
4-n-propylbenzaldehyde

: 141-97-9
ethyl acetoacetate

: 126-81-8
dimedone

: 2,7,7-trimethyl-5-oxo-4-(n-propyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With ammonium acetate In neat (no solvent) at 60℃; for 0.5h; Green chemistry;	86%

...Expand

: 3612-20-2
1-phenylmethyl-4-piperidone

: 28785-06-0
4-n-propylbenzaldehyde

: 1550981-14-0
1-benzyl-3,5-bis(4-propylbenzylidene)piperidin-4-one

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water at 0℃; for 6h; Claisen-Schmidt Condensation; Reflux;	83%

: 88-15-3
2-Acetylthiophene

: 28785-06-0
4-n-propylbenzaldehyde

: (4-hydroxy-2,6-bis(4-propylphenyl)-4-(thiophen-2-yl)-tetrahydro-2H-thiopyran-3-yl)(thiophen-2-yl)methanone

Conditions

Conditions	Yield
With sodiumsulfide nonahydrate In methanol at 20℃;	83%

: 28785-06-0
4-n-propylbenzaldehyde

: methyl 2-hydroxy-4-[(4,5-dihydro-4-oxo-1,3-thiazol-2-yl)amino]benzoate

: methyl 2-hydroxy-4-[(5-(Z)-(4-propybenzylidene)-4(H)-oxo-1,3-thiazol-2-yl)amino]benzoate

Conditions

Conditions	Yield
With sodium acetate; acetic acid for 24h; Knoevenagel Condensation; Reflux;	82%

: 1076-38-6
4-hydroxy[1]benzopyran-2-one

: 28785-06-0
4-n-propylbenzaldehyde

: 109-77-3
malononitrile

: C22H18N2O3

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In water for 0.2h; Knoevenagel condensation; Reflux;	81%

...Expand

: 28785-06-0
4-n-propylbenzaldehyde

: 82657-70-3
4-n-propylbenzyl alcohol

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran at 0℃; for 2h;	80%
With sodium hydroxide; sodium tetrahydroborate In methanol; water for 0.583333h; Ambient temperature;
With sodium tetrahydroborate; water In acetonitrile

: 28785-06-0
4-n-propylbenzaldehyde

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 4-propylbenzaldehyde tosylhydrazone

Conditions

Conditions	Yield
In methanol for 0.25h;	80%

: 28785-06-0
4-n-propylbenzaldehyde

: 1398498-90-2
2-{2-[(methylamino)methyl]-1H-benzimidazol-1-yl}acetohydrazide

: 1398499-13-2
N'-[(E)-(4-propylphenyl)methylidene]-2-{2-[(methylamino)methyl]-1H-benzimidazol-1-yl}acetohydrazide

Conditions

Conditions	Yield
With acetic acid In methanol Reflux;	80%

: 28785-06-0
4-n-propylbenzaldehyde

: 36062-19-8
1,3-diaminoguanidine hydrochloride

: 2,2′-bis[(4-propylphenyl)methylene]carbonimidic dihydrazide monohydrochloride

Conditions

Conditions	Yield
In ethanol at 100℃; for 0.166667h; Microwave irradiation;	77%

: 28785-06-0
4-n-propylbenzaldehyde

: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

: (5Z)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-propylphenyl)methylidene]-1,3-thiazolidin-4-one

Conditions

Conditions	Yield
With sodium methylate; acetic acid for 24h; Reflux;	77%

: 1192-62-7
1-(2-furyl)-1-ethanone

: 28785-06-0
4-n-propylbenzaldehyde

: furan-2-yl-(4-(furan-2-yl)-4-hydroxy-2,6-bis(4-propylphenyl)tetrahydro-2H-thiopyran-3-yl)methanone

Conditions

Conditions	Yield
With sodiumsulfide nonahydrate In methanol at 20℃;	76%

: 28785-06-0
4-n-propylbenzaldehyde

: (E)-(4-(3-oxo-3-phenylprop-1-en-1-yl) benzyl)triphenylphosphonium bromide

: (E)-1-phenyl-3-(4-(4-propylstyryl)phenyl)prop-2-en-1-one

Conditions

Conditions	Yield
Stage #1: (E)-(4-(3-oxo-3-phenylprop-1-en-1-yl) benzyl)triphenylphosphonium bromide With sodium hydroxide In dichloromethane at 0℃; for 0.166667h; Wittig Olefination; Stage #2: 4-n-propylbenzaldehyde In dichloromethane Wittig Olefination;	75%

: 28785-06-0
4-n-propylbenzaldehyde

: 2615-25-0
trans-1,4-cyclohexyldiamine

: (N1Z,N4Z)-N1,N4-bis(4-propylbenzylidene)cyclohexane-1,4-diamine

Conditions

Conditions	Yield
In methanol at 20℃; Molecular sieve;	73%

: 28785-06-0
4-n-propylbenzaldehyde

: 99-93-4
4-Hydroxyacetophenone

: 1-(4-hydroxyphenyl)-3-(4-propylphenyl)propenone

Conditions

Conditions	Yield
Stage #1: 4-n-propylbenzaldehyde; 4-Hydroxyacetophenone With sodium hydroxide In methanol at 20℃; for 0.333333h; Claisen-Schmidt Condensation; Stage #2: In methanol at 20℃; Claisen-Schmidt Condensation;	73%

: 28785-06-0
4-n-propylbenzaldehyde

: 78-94-4
methyl vinyl ketone

: 1033280-91-9
1-[4-(propyl)phenyl]-pentane-1,4-dione

Conditions

Conditions	Yield
With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; triethylamine at 70℃; under 3102.97 Torr; for 0.25h; Stetter reaction; Microwave irradiation;	72%
With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; triethylamine at 70℃; under 3102.97 Torr; for 0.25h; Stetter reaction; Microwave irradiation;	63%

: 28785-06-0
4-n-propylbenzaldehyde

: 2-[(5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

: (5Z)-2-{[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino}-5-[(4-propylphenyl)methylidene]-1,3-thiazolidin-4-one

Conditions

Conditions	Yield
With piperidine In ethanol Knoevenagel Condensation; Reflux;	71%

: 28785-06-0
4-n-propylbenzaldehyde

: 1128-28-5
4-aminothymol

: 2-iso-propyl-5-methyl-4-(4-propylbenzylideneamino)phenol

Conditions

Conditions	Yield
In methanol at 30 - 35℃; Inert atmosphere;	68%

: 1021268-16-5
1-(5-bromo-2-chloropyrimidine-4-yl)hydrazine

: 28785-06-0
4-n-propylbenzaldehyde

: 1443042-23-6
2-(4-propylbenzylidene)-1-(5-bromo-2-chloropyrimidin-4-yl)hydrazine

Conditions

Conditions	Yield
In ethanol for 2h; Reflux;	68%

: 28785-06-0
4-n-propylbenzaldehyde

: 6073-14-9
5-(tert-butyl)-4-hydroxy-2-methylaniline

: 1421830-44-5
C21H27NO

Conditions

Conditions	Yield
In methanol at 30 - 35℃; Inert atmosphere;	65%

4-Propylbenzaldehyde Consensus Reports

Reported in EPA TSCA Inventory.

4-Propylbenzaldehyde Specification

The 4-Propylbenzaldehyde, with the CAS registry number 28785-06-0, is also known as 4-(n-Propyl)benzaldehyde. It belongs to the product categories of Aldehyde; Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C10 to C21; Carbonyl Compounds. Its EINECS number is 249-221-6. This chemical's molecular formula is C₁₀H₁₂O and molecular weight is 148.20. What's more, its systematic name is 4-Propylbenzaldehyde. This chemcial should be sealed and stored in a cool and dry place.

Physical properties of 4-Propylbenzaldehyde are: (1)ACD/LogP: 2.918; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.19; (6)ACD/BCF (pH 7.4): 97.19; (7)ACD/KOC (pH 5.5): 921.19; (8)ACD/KOC (pH 7.4): 921.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 47.188 cm³; (15)Molar Volume: 150.423 cm³; (16)Polarizability: 18.707×10^-24cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 0.985 g/cm³; (19)Flash Point: 96.544 °C; (20)Enthalpy of Vaporization: 47.681 kJ/mol; (21)Boiling Point: 239.907 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3,5,7-tetraaza-adamantane and propylbenzene by heating. This reaction will need reagent CF₃COOH. The yield is about 70%.

4-Propylbenzaldehyde can be prepared by 1,3,5,7-tetraaza-adamantane and propylbenzene by heating

Uses of 4-Propylbenzaldehyde: it can be used to produce 3-(4-propyl-phenyl)-propionic acid. It will need reagent (Et₃N)₂·(HCOOH)₅. The yield is about 63%.

4-Propylbenzaldehyde can be used to produce 3-(4-propyl-phenyl)-propionic acid

When you are using this chemical, please be cautious about it as the following:
This chemcial is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1)CCC
(2)Std. InChI: InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3
(3)Std. InChIKey: MAUCRURSQMOFGV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	1600mg/kg (1600mg/kg)		Journal of Pharmaceutical Sciences. Vol. 63, Pg. 1068, 1974.

Product Name

4-N-PROPYLBENZALDEHYDE

Synthetic route

4-Propylbenzaldehyde Consensus Reports

4-Propylbenzaldehyde Specification

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