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Name	ACETALDOL	EINECS	203-530-2
CAS No.	107-89-1	Density	0.981g/cm³
PSA	37.30000	LogP	-0.04380
Solubility	insoluble	Melting Point	<25 °C
Formula	C₄H₈O₂	Boiling Point	162.2°Cat760mmHg
Molecular Weight	88.1063	Flash Point	58.7°C
Transport Information	N/A	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;	Article Data	122

ACETALDOL 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%

: 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%

: 110-89-4
piperidine

: 64-19-7
acetic acid

: 123-73-9
crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
at 40℃; Gleichgewicht;

: 110-89-4
piperidine

: 64-17-5
ethanol

: 123-73-9
crotonaldehyde

: 107-89-1
acetaldol

Conditions

Conditions	Yield
at 40℃; Gleichgewicht;

: 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;

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 .

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