ACETALDOL supplier | CasNO.107-89-1

Name
ALDOL
EINECS 203-530-2
CAS No. 107-89-1
Article Data122
CAS DataBase
Density 0.981g/cm³
Solubility insoluble
Melting Point <25 °C
Formula C₄H₈O₂
Boiling Point 162.2°Cat760mmHg
Molecular Weight 88.1063
Flash Point 58.7°C
Transport Information
Appearance White crystals
Safety Poison via skin contact. Moderately toxic by ingestion. A skin and eye irritant. A flammable liquid and fire hazard when exposed to heat or flame; emits crotonaldehyde and water when heated. See CROTONALDEHYDE. Can react with oxidizing materials.
Risk Codes 24-36
Molecular Structure
Hazard Symbols T
Synonyms Aldol;.beta.-Hydroxybutyraldehyde;Oxybutyric aldehyde;Butyraldehyde, 3-hydroxy-;Oxybutanal;3-Butanolal;Butanal, 3-hydroxy-;3-Hydroxybutyraldehyde;3-Hydroxybutanal;β-HYDROXYBUTYRALDEHYDE;3-HYDROXYBUTYR ALDEHYDE;
PSA 37.30000
LogP -0.04380

Synthetic route

: 598-32-3
2-hydroxy-3-butene

A: 107-89-1
acetaldol

B: 590-90-9
1-Hydroxy-3-butanone

C: 513-86-0, 52217-02-4
3-hydroxy-2-butanon

D: 78-94-4
methyl vinyl ketone

E: 123-73-9
crotonaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; lithium tetrachloropalladate(II); p-benzoquinone In water at 25℃; for 0.5h; Rate constant; Mechanism; Kinetics; equilibrium constants;	A 8% B 10% C 79% D 0.7% E 2.3%

...Expand

: 598-32-3
2-hydroxy-3-butene

A: 107-89-1
acetaldol

B: 590-90-9
1-Hydroxy-3-butanone

C: 513-86-0, 52217-02-4
3-hydroxy-2-butanon

D: 123-73-9
crotonaldehyde

Conditions

Conditions	Yield
hydrogenchloride; lithium tetrachloropalladate(II); p-benzoquinone In water at 25℃; for 0.5h; Further byproducts given;	A 8% B 10% C 79% D 2.3%

...Expand

: 6117-91-5
(E/Z)-2-buten-1-ol

A: 107-89-1
acetaldol

B: 590-90-9
1-Hydroxy-3-butanone

C: 78-94-4
methyl vinyl ketone

D: 5077-67-8
1-Hydroxy-2-butanone

E: 123-73-9
crotonaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; lithium tetrachloropalladate(II); p-benzoquinone In water at 25℃; for 0.5h; Rate constant; Mechanism; Kinetics; equilibrium constants;	A 39% B 49% C 0.9% D 2.6% E 8.5%

...Expand

: 6117-91-5
(E/Z)-2-buten-1-ol

A: 107-89-1
acetaldol

B: 590-90-9
1-Hydroxy-3-butanone

C: 5077-67-8
1-Hydroxy-2-butanone

D: 123-73-9
crotonaldehyde

Conditions

Conditions	Yield
hydrogenchloride; lithium tetrachloropalladate(II); p-benzoquinone In water at 25℃; for 0.5h; Further byproducts given;	A 39% B 49% C 2.6% D 8.5%

...Expand

: 110-89-4
piperidine

: 64-19-7
acetic acid

: 123-73-9
crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
at 40℃; Gleichgewicht;

...Expand

: 110-89-4
piperidine

: 64-17-5
ethanol

: 123-73-9
crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
at 40℃; Gleichgewicht;

...Expand

: 4740-77-6
2,6-dimethyl-1,3-dioxan-4-ol

: 107-89-1
acetaldol

Conditions

Conditions	Yield
With Adipic acid at 150℃; im Wasserstrahlvakuum und sofortigem Kuehlen des Aldols auf -80grad;

: 4740-77-6
2,6-dimethyl-1,3-dioxan-4-ol

A: 107-89-1
acetaldol

B: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
at 150℃; under 11 Torr; erfolgt Dissoziation;

: 7653-39-6, 7666-40-2, 19404-07-0
paraldol

: 107-89-1
acetaldol

Conditions

Conditions	Yield
bei der Destillation;

: 600-21-5
N-methylalanine

: 75-07-0
acetaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
beschleunigende Wirkung;

: 151-50-8
potassium cyanide

: 75-07-0
acetaldehyde

A: 4740-77-6
2,6-dimethyl-1,3-dioxan-4-ol

B: 107-89-1
acetaldol

...Expand

: 151-50-8
potassium cyanide

: 75-07-0
acetaldehyde

: 107-89-1
acetaldol

: 75-07-0
acetaldehyde

: furan-2,3,5(4H)-trione pyridine (1:1)

: 107-89-1
acetaldol

Conditions

Conditions	Yield
in hintereinander geschalteten Kuehlbaedern von +3grad,+8grad,+15grad und +20grad;

: 75-07-0
acetaldehyde

A: 4740-77-6
2,6-dimethyl-1,3-dioxan-4-ol

B: 107-89-1
acetaldol

Conditions

Conditions	Yield
in alkal.Medium;
in Gegenwart alkal.Reagentien;

: 75-07-0
acetaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
With sodium sulfite Zusatz von NaCl;
With water; potassium carbonate dann bei gewoehnlicher Temperatur;
With water Irradiation.mit Quecksilberbogenlicht;

: 107-97-1
sarcosine

: 64-19-7
acetic acid

: 123-73-9
crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
at 40℃; Gleichgewicht;

...Expand

: 64-19-7
acetic acid

: 141-78-6
ethyl acetate

: (16S)-20-ethyl-1β,14α,16-trimethoxy-4-methyl-7,8-seco-aconitane-6,7,8,19-tetraone

: 107-89-1
acetaldol

...Expand

: 300-85-6, 625-71-8
3-Hydroxybutyric acid

: 107-89-1
acetaldol

Conditions

Conditions	Yield
Einw. von Enzymen aus Rinderleberextrakt;
With nicotinamide adenine dinucleotide phosphate; ATP; magnesium chloride; N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid for 1h; pH=7.5; Reagent/catalyst; Enzymatic reaction;

: 300-85-6, 625-71-8
3-Hydroxybutyric acid

A: 107-89-1
acetaldol

B: 110-15-6
succinic acid

C: 75-07-0
acetaldehyde

D: 110-17-8
(2E)-but-2-enedioic acid

Conditions

Conditions	Yield
durch Enzyme aus frischem Rinderleberextrakt; Pr.5:Aepfelsaeure, Pr.6:Essigsaeure, Pr.7: Brenztraubensaeure; inactive β-oxy-butyric acid;

...Expand

: 107-97-1
sarcosine

: 64-17-5
ethanol

: 123-73-9
crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
at 40℃; Gleichgewicht;

...Expand

: 123-73-9
crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
With hydrogenchloride; water at 25℃; am Lichte;

: 123-73-9
trans-Crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
In sulfuric acid at 25℃; Rate constant; Equilibrium constant; with different H2SO4 concn.;

: 39562-58-8
1,1-dimethoxybutan-3-ol

: 107-89-1
acetaldol

Conditions

Conditions	Yield
With hydrogenchloride In water for 3h; Ambient temperature;

: 111957-98-3, 625-31-0
Pent-4-en-2-ol

: 107-89-1
acetaldol

Conditions

Conditions	Yield
With dimethylsulfide; ozone 1.) methanol, -78 deg C, 2.) 2 h, r.t.; Multistep reaction;

: 18826-95-4, 107-88-0
1.3-butanediol

: 107-89-1
acetaldol

Conditions

Conditions	Yield
With pyridinium chlorochromate In dimethyl sulfoxide for 6h; Kinetics; Mechanism; Thermodynamic data; Εa, log A, ΔS(excit.), ΔG(excit.);
With acetic acid; bromamine B In water at 29.9℃; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.);
With perchloric acid; chloramine-B In water; acetic acid at 24.9 - 39.9℃; Kinetics; Mechanism; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.);

: 18826-95-4, 107-88-0
1.3-butanediol

A: 107-89-1
acetaldol

B: 590-90-9
1-Hydroxy-3-butanone

C: 75-07-0
acetaldehyde

D: 78-94-4
methyl vinyl ketone

E: 78-93-3
butanone

F: 78-92-2, 15892-23-6
iso-butanol

Conditions

Conditions	Yield
L-1930 Product distribution; various catalysts, temp.;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 107-89-1
acetaldol

C: 126-58-9
Dipentaerythritol

Conditions

Conditions	Yield
With sodium hydroxide at 10℃; for 5h; Product distribution; Mechanism; different initial aldehyde concentrations and reaction times; effect of additional pentaerythritol;

...Expand

: 75-07-0
acetaldehyde

A: 123-73-9
trans-Crotonaldehyde

B: 107-89-1
acetaldol

Conditions

Conditions	Yield
In sulfuric acid at 25℃; Rate constant; with different H2SO4 concn.;

: 75-07-0
acetaldehyde

A: 107-89-1
acetaldol

B: 123-73-9
crotonaldehyde

Conditions

Conditions	Yield
cobalt naphthenate In n-heptane at 20℃; for 1h; Product distribution; Mechanism; other time, other temperatures, other catalysts;
With titanium(IV) oxide at -22.16 - -16.16℃; Aldol condensation; Gas phase;
With faujasite In ethanol at 180℃; for 3h; Catalytic behavior; Reagent/catalyst; Autoclave; Inert atmosphere;
With 4-oxalocrotonate tautomerase from Pseudomonasputida mt-2, M45Y/F50V mutant In aq. phosphate buffer at 20℃; for 20h; pH=7.6; Catalytic behavior; Reagent/catalyst; Time; Aldol Condensation; Enzymatic reaction;

: 107-89-1
acetaldol

: 57-14-7
1,1-dimethylhydrazine

: 99274-25-6
acetaldol N,N-dimethylhydrazone

Conditions

Conditions	Yield
In benzene at 20℃; for 4h;	89%

: 107-89-1
acetaldol

: 98-13-5
Phenyltrichlorosilane

: 1416158-21-8
3,3',3''-[phenylsilanetriyltris(oxy)]tributanal

Conditions

Conditions	Yield
With triethylamine In toluene Inert atmosphere;	87%

: 107-89-1
acetaldol

: 123-73-9
crotonaldehyde

Conditions

Conditions	Yield
With sulfur tetrafluoride In diethyl ether 1.) stainless-steel autoclave; 2.) reflux;	85%
With monoaluminum phosphate Darstellung;
With iodine Darstellung;

: 107-89-1
acetaldol

: 106-95-6
allyl bromide

: 19781-76-1
hept-6-ene-2,4-diol

Conditions

Conditions	Yield
With indium In water at 25℃; for 2h;	77%

: 107-89-1
acetaldol

: 18826-95-4, 107-88-0
1.3-butanediol

Conditions

Conditions	Yield
With hydrogen; nickel at 50 - 200℃; under 757.576 - 60006 Torr; for 0.0166667 - 5h;	75%
With nickel Hydrogenation.unter verschiedenen Bedingungen;
With copper chromium at 50 - 150℃; under 147102 - 220652 Torr; Hydrogenation;

: 107-89-1
acetaldol

: 106-95-6
allyl bromide

: 42411-87-0, 110652-87-4, 110652-91-0, 111157-42-7, 117707-60-5
syn-but-1-ene-3,5-diol

: 42411-87-0, 110652-87-4, 110652-91-0, 111157-42-7, 117707-60-5
anti-but-1-ene-3,5-diol

Conditions

Conditions	Yield
With indium; tetraethylammonium bromide for 0.25h;	A 7% B 70%

...Expand

: 107-89-1
acetaldol

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With triethyl borane; trifluorormethanesulfonic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane a) -30 deg C, 30 min, b) room temperature, 6 h;	69%
With hydrogen; aluminum oxide; titanium-palladium at 160℃; Kinetics; variation of catalyst composition;
With hydrogen; aluminum oxide; chromium; palladium at 200℃; Rate constant; Mechanism; influence of Cr content of the catalyst on velocity constant, also at 160 deg C;

: 107-89-1
acetaldol

: 96-26-4
dihydroxyacetone

A: 5,7-dideoxy-L-xylo-heptulose

B: (2R,3S,4R,6R)-2-Hydroxymethyl-6-methyl-tetrahydro-pyran-2,3,4-triol

Conditions

Conditions	Yield
With trisodium arsenate; fructose 1,6-diphosphate (FDP) aldolase In water for 24h; Ambient temperature;	A 60% B 40%

...Expand

: 1310-73-2
sodium hydroxide

: 107-89-1
acetaldol

: 96-22-0
pentan-3-one

: 20030-30-2
2,5,6-trimethyl-cyclohex-2en-1-one

Conditions

Conditions	Yield
In isopropyl alcohol	47%

...Expand

: 107-89-1
acetaldol

: 75646-25-2
2,5-bis (mercaptoacetichydrazide)-1,3,4-thiadiazole

: {5-[3-Hydroxy-but-(E)-ylidene-hydrazinocarbonylmethylsulfanyl]-[1,3,4]thiadiazol-2-ylsulfanyl}-acetic acid [3-hydroxy-but-(E)-ylidene]-hydrazide

Conditions

Conditions	Yield
In 1,4-dioxane; water at 85℃; for 3h;	46%

: 107-89-1
acetaldol

: 542-92-7
cyclopenta-1,3-diene

A: 3839-50-7
6-methylfulvene

B: 6-(2-Hydroxypropyl)fulvene

Conditions

Conditions	Yield
With pyrrolidine Yields of byproduct given;	A n/a B 41%

...Expand

: 107-89-1
acetaldol

: 241499-30-9
(4-benzyloxy-phenyl)-(3-methyl-but-2-enyl)-piperidin-4-yl-amine

: 4-{4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-enyl)-amino]-piperidin-1-yl}-butan-2-ol

Conditions

Conditions	Yield
Stage #1: acetaldol; (4-benzyloxy-phenyl)-(3-methyl-but-2-enyl)-piperidin-4-yl-amine In dichloromethane for 0.5h; Condensation; Stage #2: With sodium tris(acetoxy)borohydride at 20℃; for 18h; Reduction;	34%

: 107-89-1
acetaldol

: 868-85-9
Dimethyl phosphite

: 101543-09-3
(1R*,3R*)-Dimethyl (1,3-dihydroxybutyl) phosphonate

: 101543-08-2
(1S*,3R*)-Dimethyl (1,3-dihydroxybutyl) phosphonate

Conditions

Conditions	Yield
With triethylamine at 50 - 60℃; for 6h;	A 33% B 8%

...Expand

: 57-04-5
dihydroxyacetone phosphate

: 107-89-1
acetaldol

A: 5,7-dideoxy-L-xylo-heptulose

B: (2R,3S,4R,6R)-2-Hydroxymethyl-6-methyl-tetrahydro-pyran-2,3,4-triol

Conditions

Conditions	Yield
In water for 15h; enzyme fructose 1,6-diphosphate (FDP) aldolase; pH = 7; Yield given;	A n/a B 3%

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 60-29-7
diethyl ether

: 107-89-1
acetaldol

: 4161-60-8
4-hydroxypentan-2-one

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 107-89-1
acetaldol

: 4161-60-8
4-hydroxypentan-2-one

Conditions

Conditions	Yield
With diethyl ether

: 110-89-4
piperidine

: 107-89-1
acetaldol

: 71648-40-3
4-(piperidin-1-yl)butan-2-ol

Conditions

Conditions	Yield
With diethyl ether; water; aluminium

: 67-56-1
methanol

: 107-89-1
acetaldol

: 408528-83-6
(1,3-dichloro-butyl)-methyl ether

Conditions

Conditions	Yield
With hydrogenchloride

: 67-56-1
methanol

: 107-89-1
acetaldol

: 39562-58-8
1,1-dimethoxybutan-3-ol

Conditions

Conditions	Yield
With hydrogenchloride

: 71-23-8
propan-1-ol

: 107-89-1
acetaldol

: 408528-92-7
(1,3-dichloro-butyl)-propyl ether

Conditions

Conditions	Yield
With hydrogenchloride

: 10467-10-4
ethylmagnesium iodide

: 107-89-1
acetaldol

: 19780-90-6
2,4-dihydroxy-5-methyl pentane

ACETALDOL Chemical Properties

Product Name: Acetaldol (CAS NO.107-89-1)

Molecular Formula: C₄H₈O₂
Molecular Weight: 88.11g/mol
Mol File: 107-89-1.mol
Einecs: 203-530-2
Appearance: Clear white to yellow syrupy liquid
Boiling point: 162.2 °C at 760 mmHg
Flash Point: 58.7 °C
Density: 0.981 g/cm³
Water Solubility: Soluble in water
Surface Tension: 32.4 dyne/cm
Enthalpy of Vaporization: 46.44 kJ/mol
Vapour Pressure: 0.753 mmHg at 25°C
XLogP3-AA: -0.6
H-Bond Donor: 1
H-Bond Acceptor: 2

ACETALDOL Uses

Acetaldol (CAS NO.107-89-1) is used as intermediates in organic synthesis. It is used for extracting small-ol, antioxidant AH, antioxidant AP, spices, mineral flotation agents, sedatives and sleeping pills.

ACETALDOL Production

Acetaldol (CAS NO.107-89-1) is by the condensation of acetaldehyde derived from sodium hydroxide solution.

ACETALDOL Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intravenous	8mg/kg (8mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse	LD50	intravenous	22mg/kg (22mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse	LD50	oral	75mg/kg (75mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse	LD50	subcutaneous	21mg/kg (21mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
pigeon	LD50	intravenous	5mg/kg (5mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat	LD50	intravenous	420mg/kg (420mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat	LD50	oral	2150mg/kg (2150mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat	LD50	subcutaneous	705mg/kg (705mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.

ACETALDOL Consensus Reports

Reported in EPA TSCA Inventory.

ACETALDOL Safety Profile

Poison via skin contact. Moderately toxic by ingestion. A skin and eye irritant. A flammable liquid and fire hazard when exposed to heat or flame; emits crotonaldehyde and water when heated. See CROTONALDEHYDE. Can react with oxidizing materials.

ACETALDOL Standards and Recommendations

DOT Classification: 6.1; Label: Poison

ACETALDOL Specification

Acetaldol ,its CAS NO. is 107-89-1,the synonyms is 3-Butanolal ; 3-Hydroxy-butana ; 3-Hydroxybutanal ; 3-Hydroxy-Butanal ; 3-Hydroxy-butyraldehyd ; Beta-Hydroxybutyraldehyde ; Butanal, 3-hydroxy- ; Butanal,3-hydroxy- ; Aldol .

Product Name

ALDOL

Synthetic route

ACETALDOL Chemical Properties

ACETALDOL Uses

ACETALDOL Production

ACETALDOL Toxicity Data With Reference

ACETALDOL Consensus Reports

ACETALDOL Safety Profile

ACETALDOL Standards and Recommendations

ACETALDOL Specification

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