Phenylacetaldehyde supplier

Name
Phenylacetaldehyde
EINECS 204-574-5
CAS No. 122-78-1
Article Data1186
CAS DataBase
Density 1.029 g/cm³
Solubility 2.210 g/L (25 ºC)
Melting Point -10 °C(lit.)
Formula C₈H₈O
Boiling Point 198 °C at 760 mmHg
Molecular Weight 120.151
Flash Point 89.2 °C
Transport Information UN 1170 3/PG 2
Appearance colourless to slightly yellow liquid
Safety 26-36-37-24-16-7
Risk Codes 22-36/37/38-43-11
Molecular Structure
Hazard Symbols Xn,F
Synonyms Phenylacetic aldehyde;Phenylethanal;a-Phenylacetaldehyde;a-Tolualdehyde;a-Toluic aldehyde;Acetaldehyde,phenyl- (8CI);Benzylcarboxaldehyde;Hyacinthin;NSC 406309;Phenacetaldehyde;Benzeneacetaldehyde;
PSA 17.07000
LogP 1.42800

Synthetic route

: 96-09-3
styrene oxide

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With trimethylaluminum; bis(3,5-di-t-butyl-2-hydroxyphenyl)sulfone; 1-phenylpropylene oxide In hexane; dichloromethane at -80℃; for 1h; Rearrangement;	100%
	100%
With Cr-pillared montmorillonite In tetrahydrofuran for 0.25h; Solvent; Reagent/catalyst; Temperature; Time; Reflux;	100%

: 14629-58-4
trimethyl(phenethyloxy)silane

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With nitrogen dioxide at 20℃; for 0.166667h;	100%
With NTPPPODS In acetonitrile for 0.5h; Reflux;	92%
With phosphomolybdic acid In toluene for 0.833333h; Heating;	90%

: 197230-95-8
N,N-dimethyl-2-[2-(phenyl)ethenyloxy]ethanamine

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 1h;	100%

: 101-48-4
phenylacetaldehyde dimethyl acetal

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In water at 30℃; for 15h;	100%
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In water; acetonitrile	95%
With water at 120℃; for 0.5h; microwave irradiation;	95%

: 300-57-2
allylbenzene

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 75℃; for 6h;	100%
With sodium periodate; C31H29Br2N3Ru*CH2Cl2 In water; ethyl acetate; acetonitrile at 25℃; for 0.5h; Inert atmosphere; Schlenk technique;	96%
Stage #1: allylbenzene With sodium periodate; C22H23N7Ru(2+)F6P(1-)CF3O3S(1-) In water; acetone at 20℃; for 2h; Stage #2: With sodium sulfite In dichloromethane; water for 0.166667h; Catalytic behavior; Reagent/catalyst;	65%

: 96-09-3
styrene oxide

: allyl(1,5-cyclooctadiene)palladium trifluoromethanesulfonate

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
In benzene	100%
In benzene	100%
In benzene

: 96-09-3
styrene oxide

: bis(1,5-cyclooctadiene)rhodium trifluoromethansulfonate

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
In benzene	100%

: 1256776-45-0
5'-benzylspiro[adamantane-2,3'-[1,2,4]trioxolane]

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With iron(II) bromide In dichloromethane; acetonitrile at 35℃; for 0.0833333h;	100%

: 292638-84-7
styrene

A: 96-09-3
styrene oxide

B: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With C16H17MoN3O6S; dihydrogen peroxide; sodium hydrogencarbonate In water; acetonitrile at 60℃; for 4h; Catalytic behavior; Overall yield = 94.0 %;	A 99.1% B 0.9%
With 4C17H18ClMoN3O5S2*2C2H6OS; dihydrogen peroxide; sodium hydrogencarbonate In water; acetonitrile at 60℃; for 4h; Catalytic behavior; Overall yield = 92.0 %;	A 99.2% B 0.8%
With C20H18ClMoN3O4S2; dihydrogen peroxide; sodium hydrogencarbonate In water; acetonitrile at 60℃; for 4h; Catalytic behavior; Overall yield = 93.0 %;	A 99.4% B 0.6%

: 60-12-8
2-phenylethanol

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With titanium(IV) oxide; oxygen at 29.84℃; under 760.051 Torr; for 24h; Sealed tube; Irradiation;	99%
With oxygen; isobutyraldehyde In 1,2-dichloro-ethane at 40℃; for 5.5h;	98%
With oxygen In water at 25℃; under 760.051 Torr; for 1.5h;	98%

: 64-04-0
phenethylamine

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With Halomonas elongata/Co imm pyridoxal phosphate In toluene at 37℃; for 0.25h; pH=7.5; Flow reactor; Enzymatic reaction;	99%
With immobilised amine transaminase from the moderate halophilic bacterium Halomonas elongata; sodium pyruvate In aq. phosphate buffer; dimethyl sulfoxide at 37℃; under 760.051 Torr; for 2h; pH=8;	97%
With oxygen; copper(I) bromide In chlorobenzene at 20℃; for 3h;	93%

: 292638-84-7
styrene

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With 2,6-dichloropyridine N-oxide; [Ru(2,6-Cl2tpp)Cl2] In chloroform at 60℃; for 12h; Product distribution / selectivity;	99%
With 2,6-dichloropyridine N-oxide; [Ru(2,6-Cl2tpp)Cl2] In chloroform-d1 at 60℃; for 12h; Product distribution / selectivity;	99%
Stage #1: styrene With ammonium iodide; water; sodium dodecyl-sulfate for 0.5h; Stage #2: With Oxone at 20℃; for 0.13h; Reagent/catalyst; regioselective reaction;	93%

: 60-12-8
2-phenylethanol

A: 102-20-5
phenyl-acetic acid phenethyl ester

B: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate In dichloromethane	A 4% B 99%
With pyridine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 25℃; for 3h;	A 58.7% B 41.3%
With oxygen at 120℃; for 5h; Neat (no solvent);
With pyridine; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 22℃; for 3h; Catalytic behavior; Time;	A 71 %Chromat. B 23 %Chromat.
With 2,6-dimethylpyridine; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 22℃; for 3h; Catalytic behavior; Time;	A 12 %Chromat. B 86 %Chromat.

: 31593-52-9
2-benzyl-1,3-dithiane

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With dihydrogen peroxide; iodine; sodium dodecyl-sulfate In water at 20℃; for 1h; Micellar solution;	98%
With ammonium iodide; dihydrogen peroxide; sodium dodecyl-sulfate In water at 20℃; for 0.333333h; micellar medium;	95%

: 96-09-3
styrene oxide

: 67-64-1
acetone

A: 52129-03-0
2,2-dimethyl-4-phenyl-1,3-dioxolane

B: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With Cr-pillared montmorillonite at 30℃; for 0.333333h; Time;	A 98% B 9%

...Expand

: 24330-46-9
2-phenylethyl nitrite

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;	97%

: 2-[2-phenylvinyl]-1H-isoindole-1,3(2H)-dione

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With sulfuric acid In tetrahydrofuran for 10h; Heating;	96%

: 54905-12-3
(2-phenylethane-1,1-diyl)bis(phenylsulfane)

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 20 - 25℃; for 2h; Irradiation;	95%

: 3647-71-0
N-benzyl-2-phenylethylamine

A: 122-78-1
phenylacetaldehyde

B: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0.166667h;	A 95% B n/a

: 13657-49-3
1,4-diphenylbut-2-ene

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
Stage #1: 1,4-diphenylbut-2-ene With oxygen at -20℃; for 2h; Green chemistry; Stage #2: With Lindlar's catalyst; hydrogen at 15℃; for 2h; Temperature; Reagent/catalyst; Green chemistry;	94.4%

: 57308-70-0, 85611-59-2, 100349-67-5, 54766-50-6
2-iodo-1-phenylethan-1-ol

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
Stage #1: 2-iodo-1-phenylethan-1-ol With ammonium iodide; water; sodium dodecyl-sulfate for 0.5h; Stage #2: With Oxone at 20℃; for 0.1h; regioselective reaction;	94%
With silver nitrate

: 36838-59-2
N-styrylmorpholine

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With aq. acid for 1h; Ambient temperature;	94%

: 39166-25-1
(E)-N-(2-phenylethenyl)morpholine

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran for 5h; Ambient temperature;	94%
With water In dimethylsulfoxide-d6 at 25℃; Equilibrium constant; Solvent;
Multi-step reaction with 2 steps 1: bismuth(lll) trifluoromethanesulfonate / chloroform-d1; [D3]acetonitrile / 22 °C 2: water / dimethylsulfoxide-d6 / 25 °C View Scheme
Multi-step reaction with 2 steps 1: bismuth(lll) trifluoromethanesulfonate / chloroform-d1; [D3]acetonitrile 2: water / chloroform-d1 / 25 °C View Scheme

: 536-74-3
phenylacetylene

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With 6-(2,4,6-triphenyl-phenyl)-2-diphenylphosphino-pyridine; water; (η5-cyclopentadienyl) (η6-naphthalene)ruthenium hexafluorophosphate In acetone at 55℃; for 3h;	94%
With chloro(cyclopentadienyl)[bis(diphenylphosphino)methane]ruthenium; water In isopropyl alcohol at 100℃; for 12h;	90%
With 5,5′-bis(trifluoromethyl)-2,2′-bipyridine; lithium chloride In 1-methyl-pyrrolidin-2-one; water at 25℃; for 48h; Reagent/catalyst; Inert atmosphere; Autoclave;	84%

: 828-01-3
phenyllactic acid

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With dimanganese decacarbonyl In toluene at 120℃; for 8h; Sealed tube;	94%

: 292638-84-7
styrene

A: 96-09-3
styrene oxide

B: 122-78-1
phenylacetaldehyde

C: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With 1H-imidazole; dihydrogen peroxide; Mn(TDCPP)Cl In dichloromethane; acetonitrile for 2h; Ambient temperature;	A 93% B 1% C 1%
With 1H-imidazole; dihydrogen peroxide In dichloromethane; acetonitrile at 20℃;	A 93% B 1% C 1%
With 1H-imidazole; dihydrogen peroxide; Mn(TDCPP)(Cl) In dichloromethane; acetonitrile at 20℃; Product distribution; other catalysts;	A 93% B 1% C 1%

...Expand

: 78362-94-4
{PPN}{HCr(CO)5}

: 103-80-0
phenylacetyl chloride

A: 65650-76-2
bis(triphenylphosphine)nitrogen{Cr(CO)5Cl}

B: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
In tetrahydrofuran 1:1 molar ratio, THF, 25°C;; detected by NMR and IR spectra; and GC analysis,;	A n/a B 92%

...Expand

: 3647-71-0
N-benzyl-2-phenylethylamine

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction;	92%

: 536-74-3
phenylacetylene

A: 122-78-1
phenylacetaldehyde

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
With sodium dodecyl-sulfate; [Ru(η5-C9H7)Cl(PPh3)2] In water at 60℃; for 24h;	A 91% B 7 % Chromat.
[Ru(η5-C9H7)Cl(PPh3)2] In water; isopropyl alcohol at 90℃; for 48h;	A 69% B 17 % Chromat.
With sodium hydroxide; lithium borohydride; dihydrogen peroxide; ethyl acetate Product distribution; different ratios;	A 22 % Chromat. B 78 % Chromat.

: triethyl(1-methoxy-2-phenylethoxy)silane

: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran at 20℃; for 2h;	91%
With hydrogenchloride In tetrahydrofuran; water at 30℃; for 4h;	84 %Spectr.

: 122-78-1
phenylacetaldehyde

: 16927-13-2
α-bromophenylacetaldehyde

Conditions

Conditions	Yield
With bromine In 1,4-dioxane at 0 - 20℃; for 0.583333h;	100%
With bromine In dichloromethane at -10 - 20℃; Heating / reflux;	98.7%
Stage #1: phenylacetaldehyde With polystyrene-supported 4-(phenylseleno)morpholine In dichloromethane for 5h; Heating; Stage #2: With bromine In dichloromethane at 0℃; for 1h; Stage #3: In dichloromethane for 1h; Heating;	85%

: 2038-57-5
3-Phenylpropan-1-amine

: 122-78-1
phenylacetaldehyde

: 136534-76-4
N-(2-phenylethyl)-3-phenylpropylamine

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropan-1-amine; phenylacetaldehyde In methanol at 64℃; for 3h; Borch Reduction; Stage #2: With sodium cyanoborohydride In methanol; ethanol at 20 - 64℃; for 5h; Borch Reduction;	100%
With sodium cyanoborohydride In methanol for 24h; Ambient temperature;

: 122-78-1
phenylacetaldehyde

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 50353-47-4
phenyl acetaldehyde cyanohydrin

Conditions

Conditions	Yield
With potassium carbonate In ethanol for 2h; Ambient temperature;	100%

: 122-78-1
phenylacetaldehyde

: 140-29-4
phenylacetonitrile

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; hydroxylamine hydrochloride at 100℃; for 0.25h; Condensation; microwave irradiation;	100%
With hydroxylamine hydrochloride In 1-methyl-pyrrolidin-2-one at 100℃; for 0.0833333h;	100%
With bismuth(lll) trifluoromethanesulfonate; acetylhydroxamic acid In acetonitrile for 16h; Reflux;	95%

: 122-78-1
phenylacetaldehyde

: 634154-14-6
5-[(trimethylsilyl)methyl]-5,6-heptadiene-3-ol

: (2R,6S)-2-Benzyl-6-ethyl-3,4-dimethylene-tetrahydro-pyran

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In diethyl ether at -78℃; for 3.5h;	100%

: 4930-98-7
pyrid-2-ylhydrazine

: 122-78-1
phenylacetaldehyde

: N-pyridin-2-yl-N'-styryl-hydrazine

Conditions

Conditions	Yield
	100%

: 122-78-1
phenylacetaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 61325-02-8
2-amino-5-phenylthiophene-3-carboxylic acid methyl ester

Conditions

Conditions	Yield
With sulfur; N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide) at 18 - 25℃;	100%
With sulfur; triethylamine In N,N-dimethyl-formamide at 20℃; for 21h;	90%
With sulfur; triethylamine In ethanol at 20℃; for 1h; Gewald reaction; Reflux;	63%

: 122-78-1
phenylacetaldehyde

: 20815-52-5
4-hydrazinopyridine hydrochloride

: 859164-38-8
N-[2-phenyl-eth-(Z)-ylidene]-N'-pyridin-4-yl-hydrazine

Conditions

Conditions	Yield
Stage #1: phenylacetaldehyde; 4-hydrazinopyridine hydrochloride Stage #2: With sodium hydroxide In water	100%

: C30H46N4O7S

: 122-78-1
phenylacetaldehyde

: 602312-16-3
C38H54N4O7S

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃;	100%

: methyl 4-(piperidin-4-yl)butanoate hydrochloride

: 122-78-1
phenylacetaldehyde

: 910540-13-5
4-(1-phenethyl-piperidin-4-yl)-butyric acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 4-(piperidin-4-yl)butanoate hydrochloride; phenylacetaldehyde With sodium tris(acetoxy)borohydride In tetrahydrofuran at 20℃; for 4h; Stage #2: With water; sodium hydrogencarbonate In tetrahydrofuran; ethyl acetate	100%
Stage #1: methyl 4-(piperidin-4-yl)butanoate hydrochloride; phenylacetaldehyde With sodium tris(acetoxy)borohydride In tetrahydrofuran at 20℃; for 4h; Stage #2: With sodium hydrogencarbonate In tetrahydrofuran; water; ethyl acetate	100%

: 122-78-1
phenylacetaldehyde

: 104-63-2
N-Benzylethanolamine

: 415932-36-4
2-[benzyl(phenethyl)amino]ethanol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 20℃; for 14h; Inert atmosphere;	100%

: 13169-00-1
Methoxyallene

: 122-78-1
phenylacetaldehyde

: 1263472-84-9
C12H14O2

Conditions

Conditions	Yield
Stage #1: Methoxyallene With n-butyllithium In diethyl ether; hexane at -40℃; for 0.5h; Inert atmosphere; Stage #2: phenylacetaldehyde In diethyl ether; hexane at -78℃; Inert atmosphere;	100%

: 122-78-1
phenylacetaldehyde

: 829-85-6
diphenylphosphane

: 1159261-99-0
Ph2PCH(OH)CH2Ph

Conditions

Conditions	Yield
at 20℃; neat (no solvent);	100%

: 22592-13-8
ethyl 2-(triphenylphosphoranylidene)butanoate

: 122-78-1
phenylacetaldehyde

: 2-ethyl-4-phenyl-but-2-enoic acid ethyl ester

Conditions

Conditions	Yield
In toluene for 10h; Wittig olefination; Reflux; Inert atmosphere;	100%

: 122-78-1
phenylacetaldehyde

: 616-24-0
3-aminopentane

: (1-Ethyl-propyl)-phenethyl-amine

Conditions

Conditions	Yield
Stage #1: phenylacetaldehyde; 3-aminopentane In methanol at 64℃; for 3h; Borch Reduction; Stage #2: With sodium cyanoborohydride In methanol; ethanol at 20 - 64℃; for 5h; Borch Reduction;	100%

: 122-78-1
phenylacetaldehyde

: 108-91-8
cyclohexylamine

: 51827-40-8
N-Cyclohexyl-N-(2-phenylethyl)amine

Conditions

Conditions	Yield
Stage #1: phenylacetaldehyde; cyclohexylamine In methanol at 64℃; for 3h; Borch Reduction; Stage #2: With sodium cyanoborohydride In methanol; ethanol at 20 - 64℃; for 5h; Borch Reduction;	100%

: 122-78-1
phenylacetaldehyde

: 25895-60-7
sodium cyanoborohydride

: 110755-31-2
isopentyl-phenethyl-amine

Conditions

Conditions	Yield
Stage #1: phenylacetaldehyde; sodium cyanoborohydride In methanol at 64℃; for 3h; Borch Reduction; Stage #2: With sodium cyanoborohydride In methanol; ethanol at 20 - 64℃; for 5h; Borch Reduction;	100%

: 3282-30-2
pivaloyl chloride

: 122-78-1
phenylacetaldehyde

: styryl pivalate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; Inert atmosphere;	100%
With triethylamine In dichloromethane at 20℃; Inert atmosphere; Schlenk technique;

: 37610-80-3
1,3-dioxolan-2-ylethylmagnesium bromide

: 122-78-1
phenylacetaldehyde

: 1567843-29-1
C13H18O3

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃; Grignard Reaction;	100%

: 908303-26-4
(R)-(-)-α,α-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanoltrimethylsilyl ether

: 122-78-1
phenylacetaldehyde

: C32H29F12NOSi

Conditions

Conditions	Yield
In benzene-d6 at 25℃; for 48h; Inert atmosphere; Schlenk technique; Molecular sieve;	100%

: tert-butyl 1-(2-bromobenzyl)hydrazine-1-carboxylate

: 122-78-1
phenylacetaldehyde

: C20H23BrN2O2

Conditions

Conditions	Yield
In ethanol at 20℃;	100%

: 122-78-1
phenylacetaldehyde

: 609-36-9
rac-Pro-OH

: C13H15NO2

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 at 20℃; for 1h; Molecular sieve; Inert atmosphere;	100%

Phenylacetaldehyde Consensus Reports

Reported in EPA TSCA Inventory.

Phenylacetaldehyde Specification

1.Introduction of Phenylacetaldehyde

The Benzeneacetaldehyde, with the CAS registry number 122-78-1, is also known as 1-Oxo-2-phenylethane. It belongs to the product categories of Aldehydes; C8; Carbonyl Compounds; Alphabetical Listings; Flavors and Fragrances; O-P. Its EINECS registry number is 204-574-5. This chemical's molecular formula is C₈H₈O and molecular weight is 120.15. Its IUPAC name is called 2-phenylacetaldehyde. What's more, this chemical's classification codes are Natural Product; Skin / Eye Irritant. Benzeneacetaldehyde is used for aldehyde synthesis flavors. This chemical can be used as concocting spices of Flower scent flavor in hyacinth, clove, rose, lily, daffodil, farnesylacetone, sweet pea, sowbread.

2. Physical properties of Benzeneacetaldehyde

(1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 13.25; (5)ACD/BCF (pH 7.4): 13.25; (6)ACD/KOC (pH 5.5): 221.2; (7)ACD/KOC (pH 7.4): 221.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 35.98 cm³; (12)Molar Volume: 119.5 cm³; (13)Surface Tension: 35.9 dyne/cm; (14)Density: 1.004 g/cm³; (15)Flash Point: 89.2 °C; (16)Enthalpy of Vaporization: 43.42 kJ/mol; (17)Boiling Point: 198 °C at 760 mmHg; (18)Vapour Pressure: 0.368 mmHg at 25°C.

3.Structure descriptors of Phenylacetaldehyde

(1)Canonical SMILES: C1=CC=C(C=C1)CC=O
(2)InChI: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
(3)InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N

4. Preparation of Benzeneacetaldehyde

Phenylacetaldehyde can be prepared by phenethylamine. This reaction will need reagent KMnO₄-FeSO₄•7H₂O and solvent CH₂Cl₂. The reaction time is 6 hours. The yield is about 80%.

Benzeneacetaldehyde can be prepared by phenethylamine

5. Safety information of Phenylacetaldehyde

This chemical is highly flammable. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

6. The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	oral	3890mg/kg (3890mg/kg)	Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse	LC50	inhalation	2gm/m³ (2000mg/m³)	Toksikologicheskii Vestnik. Vol. (2), Pg. 35, 1995.
mouse	LD50	oral	3890mg/kg (3890mg/kg)	Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)	Food and Cosmetics Toxicology. Vol. 17, Pg. 377, 1979.
rat	LD50	oral	1550mg/kg (1550mg/kg)	Food and Cosmetics Toxicology. Vol. 17, Pg. 377, 1979.

Product Name

Phenylacetaldehyde

Synthetic route

Phenylacetaldehyde Consensus Reports

Phenylacetaldehyde Specification

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