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107-89-1
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Basic Information
CAS No.: 107-89-1
Name: ALDOL
Molecular Structure:
Molecular Structure of 107-89-1 (ALDOL)
Formula: C4H8O2
Molecular Weight: 88.1063
Synonyms: Aldol;.beta.-Hydroxybutyraldehyde;Oxybutyric aldehyde;Butyraldehyde, 3-hydroxy-;Oxybutanal;3-Butanolal;Butanal, 3-hydroxy-;3-Hydroxybutyraldehyde;3-Hydroxybutanal;β-HYDROXYBUTYRALDEHYDE;3-HYDROXYBUTYR ALDEHYDE;
EINECS: 203-530-2
Density: 0.981g/cm3
Melting Point: <25 °C
Boiling Point: 162.2°Cat760mmHg
Flash Point: 58.7°C
Solubility: insoluble
Appearance: White crystals
Hazard Symbols: T
Risk Codes: 24-36
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.
PSA: 37.30000
LogP: -0.04380
Related products
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 40℃; Gleichgewicht;
...Expand
110-89-4

piperidine

64-17-5

ethanol

123-73-9

crotonaldehyde

107-89-1

acetaldol

Conditions
ConditionsYield
at 40℃; Gleichgewicht;
...Expand
4740-77-6

2,6-dimethyl-1,3-dioxan-4-ol

107-89-1

acetaldol

Conditions
ConditionsYield
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
ConditionsYield
at 150℃; under 11 Torr; erfolgt Dissoziation;
7653-39-6, 7666-40-2, 19404-07-0

paraldol

107-89-1

acetaldol

Conditions
ConditionsYield
bei der Destillation;
600-21-5

N-methylalanine

75-07-0

acetaldehyde

107-89-1

acetaldol

Conditions
ConditionsYield
beschleunigende Wirkung;
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Chemistry

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

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.

Production

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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.

Standards and Recommendations

DOT Classification:  6.1; Label: Poison

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 .