3-Hydroxybutyraldehyd

3-Hydroxybutanal

HCID 7897CAS 107-89-1

Grundinformationen

Standard-SMILES
CC(O)CC=O
InChIKey
HSJKGGMUJITCBW-UHFFFAOYSA-N
Summenformel
C4H8O2
Durchschnittliche Molmasse
88,11 g/mol
Monoisotopische Masse
88,0524295

Überblick

Aldol appears as a clear white to yellow syrupy liquid. Denser than water. Contact may irritate skin and eyes. Moderately toxic by ingestion, inhalation and skin absorption.

Namen und Bezeichner

Bevorzugter Name
3-Hydroxybutanal
IUPAC
3-hydroxybutanal
Lokaler Name
3-Hydroxybutyraldehyd
Englischer Name
ALDOL
Summenformel
C4H8O2
Molmasse
88.11

Namen und Synonyme

Aldol3-Hydroxybutanal3-HydroxybutyraldehydeButanal, 3-hydroxy-Oxybutanal107-89-13-ButanolalACETALDOLbeta-HydroxybutyraldehydeOxybutyric aldehydeButyraldehyde, 3-hydroxy-NSC-7610
Weitere Namen anzeigen
107-89-1 ALDOL3-hydroxy-butanaAldol(Technical)
8C6G962B53DTXSID2050407RefChem:551525DTXCID8029490203-530-2.beta.-HydroxybutyraldehydeNSC 7610HSDB 2663

Datenbank-Bezeichner

CAS
107-89-1
PubChem CID
7897
DTXSID
DTXSID2050407
UNII
8C6G962B53
EC Number
203-530-2
Nikkaji
J4.066E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,6
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Aldehydes

Flammable agents - 2nd degree

Density · 2 Einträge

1.103 g/cu cm at 20 °C

Specific heat: 0.737; bulk density: 9.17 lb/gal at 20 degC

Color/Form · 2 Einträge

Clear, white-to-yellow syrupy liquid

Colorless, thick liquid

Solubility · 4 Einträge

Miscible with water /1.00X10+6 mg/L/

Miscible with water

Miscible with ethanol; soluble in diethyl ether; very soluble in acetone

Miscible with alcohol, ether, organic solvents

Flash Point · 2 Einträge

150 °F (NFPA, 2010)

150 °F (66 °C) (open cup)

Boiling Point · 2 Einträge

Decomposes at about 83 °C

Boiling point = 83 °C at 20 mm

Physikochemische Eigenschaften

Schmelzpunkt
25 °C · <25 °C
Siedepunkt
20 · bp20 83°
Dichte
16 · d16 1.109
Dampfdichte
3.04 · 3.04
Brechungsindex
1.4238 · 1.4238
Flammpunkt
150 °F · 150°F (OC)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H310 (66.7%): Fatal in contact with skin [Danger Acute toxicity, dermal]

P262, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P316, P321, P337+P317, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H310: Fatal in contact with skin [Danger Acute toxicity, dermal]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Butanal, 3-hydroxy-

Butanal, 3-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Fire PotentialA flammable liquid and fire hazard when exposed to heat or flame.
Health Hazards · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

Hazards SummaryMay cause skin and eye irritation; Toxic by inhalation, ingestion, and skin contact; [CAMEO] An eye irritant; [MSDSonline]

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2 Einträge

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that acetaldol is expected to have very high mobility in soil(SRC). Volatilization of acetaldol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.4X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(2). Acetaldol is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 21 mm Hg at 20 °C(3). Acetaldol reached 49.7% of its theoretical BOD in 10 days(4), suggesting that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that acetaldol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 4.4X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). According to a classification scheme(3), an estimated BCF of 3(SRC), from an estimated log Kow of -0.72(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Acetaldol reached 49.7% of its theoretical BOD in 10 days(5), suggesting that biodegradation may be an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), acetaldol, which has a vapor pressure of 21 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase acetaldol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 8 hours(SRC), calculated from its rate constant of 4.8X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Acetaldol does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Toxicity Summary · 1 Eintrag

IDENTIFICATION AND USE: Acetaldol is a colorless, thick liquid. It is used in manufacture of rubber vulcanizers. Other uses include perfumery, engraving, ore flotation, solvent, solvent mixtures for cellulose acetate, fungicides, organic synthesis, printer's rollers, cadmium plating, dyes, drugs, dyeing assistant, and synthetic polymers. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: Rats exposed to acetaldol saturated air survived 1/2 hour.

Soil Adsorption/Mobility · 1 Eintrag

The Koc of acetaldol is estimated as 1(SRC), using a log Kow of -0.71(1) and a regression-derived equation(1). According to a classification scheme(2), this estimated Koc value suggests that acetaldol is expected to have very high mobility in soil.

Artificial Pollution Sources · 1 Eintrag

Acetaldol's production and use in the manufacture of rubber vulcanizers(1,2), perfumery, engraving, ore flotation, solvent, solvent mixtures for cellulose acetate, fungicides, organic synthesis, printer's rollers, cadmium plating, dyes, drugs, dyeing assistant and synthetic polymers(2) may result in its release to the environment through various waste streams(SRC). Acetaldol has been identified as a constituent of tobacco smoke(3).

Environmental BiodegradationAEROBIC: Acetaldol reached 49.7% of its theoretical BOD in 10 days using a sewage inoculum in a standard dilution method test at 20 °C(1).
Environmental Bioconcentration · 1 Eintrag

An estimated BCF of 3 was calculated in fish for acetaldol(SRC), using an estimated log Kow of -0.71(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Regulatorische Informationen

Atmospheric Standards · 1 Eintrag

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Acetaldol is produced, as an intermediate or a final product, by process units covered under this subpart.

Sicherheitsdaten

wgk
WGK 3
tsca
TSCA listed
ridadr
UN 2839
risk_code
24-36
Toxizität
LD50 orally in rats: 2.18 g/kg (Smyth)
hazard_code
T

Chemie und Industrie

Verwendung und Herstellung

Uses · 5 Einträge

Used in the manufacture of rubber vulcanizers, accelerators, and age resisters; in perfumes; in ore flotation; in engraving; as a solvent; in solvent mixture for cellulose acetate; in fungicides; for organic synthesis; in cadmium plating; in dyes and drugs; as a dyeing assistant; in synthetic polymers and printer's rollers; [HSDB]

Electroplating [Category: Plate]

Manufacture of rubber vulcanizers.

Synthesis of rubber accelerators and age resisters, perfumery, engraving, ore flotation, solvent, solvent mixtures for cellulose acetate, fungicides, organic synthesis, printer's rollers, cadmium plating, dyes, drugs, dyeing assistant, synthetic polymers.

Acetaldol is used primarily for the preparation of crotonaldehyde. ... also for the manufacture of substituted quinaldines which, in turn, are valuable starting materials for dyes and pigments.

U.S. ProductionNon-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Aldol:
Methods of Manufacturing · 3 Einträge

In the presence of dilute sodium or potassium hydroxide solutions, acetaldehyde is converted to the aldol over a period of several hours in a water-cooled flow tube at 20-25 °C. In order to avoid side and secondary reactions, which would result in appreciable resin formation, the reaction is stopped by adding phosphoric or acetic acid when acetaldehyde conversion has reached 60%. After the unconverted acetaldehyde is separated, a bottom product is obtained that, apart from small amounts of byproducts such as crotonaldehyde, consists of 72-73 wt% acetaldol and ca. 18 wt% water.

Manufactured by condensation of acetaldehyde in aqueous NaOH.

Alheritiere, Gobron, United States of America patent 2713598 (1955 to Usines de Melle).

Formulations/PreparationsGrade: Technical (98%)
General Manufacturing InformationButanal, 3-hydroxy-: ACTIVE

Anwendungen

VerwendenAcetaldol is manufactured by condensing of acetaldehyde in aqueous NaOH and is used to produce rubber vulcanizers, accelerators and age retardants, perfumes, and in ore flotation. It is a hypnotic and sedative.

Anbieter14 Anbieter

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]

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