123-63-7

Name Paraldehyde
CAS 123-63-7
EINECS(EC#) 204-639-8
Molecular Formula C6H6O2
MDL Number MFCD00036208
Molecular Weight 110.11
MOL File 123-63-7.mol

Chemical Properties

Appearance Paraldehyde is a colorless liquid. Pleasant, sweet odor.
Melting point  12 °C
Boiling point  65-82 °C
density  0.994 g/mL at 20 °C(lit.)
vapor density  1.52 (vs air)
vapor pressure  25.89 psi ( 55 °C)
FEMA  4010
refractive index  n20/D 1.39
Fp  30 °F
storage temp.  2-8°C
solubility  120g/l
form  solution
pka 16(at 25℃)
color  Colorless liquid
Specific Gravity 0.994
Odor disagreeable taste, aromatic odor
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, mineral acids.
explosive limit 1.3-17.0%(V)
Water Solubility  125 g/L (25 ºC)
Thermal Conductivity 0.139 W/(m·K) at 25 ℃
Usage Paraldehyde is used as solvent for fats, oils, waxes, rubber and resins; as substitute for acetaldehyde; as intermediate for organic chemicals, dyestuffs, accelerators for vulcanizations, rubber oxidants, etc. Product Data Sheet
JECFA Number 2299
Merck  13,7098
BRN  80142
Henry's Law Constant 5.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 14.5(20℃)
InChI 1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKey SQYNKIJPMDEDEG-UHFFFAOYSA-N
SMILES CC1OC(C)OC(C)O1
LogP 0.670
CAS DataBase Reference 123-63-7(CAS DataBase Reference)
NIST Chemistry Reference Paraldehyde(123-63-7)
EPA Substance Registry System 123-63-7(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210-P233-P240-P241-P242-P243
Hazard Codes  F
Risk Statements 
R11:Highly Flammable.
Safety Statements 
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
RIDADR  UN 1993 3/PG 2
WGK Germany  1
RTECS  YK0525000
Autoignition Temperature 235 °C
TSCA  TSCA listed
REACH Registrations Active
HazardClass  3.2
PackingGroup  III
HS Code  29125000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Safety Profile
A human poison by rectal route. Moderately toxic to humans by intramuscular route. Moderately toxic experimentally by inhalation, ingestion, intraperitoneal, and subcutaneous routes. Human systemic effects by rectal route: necrotic changes. A skin and severe eye irritant. Low doses produce hypnotic and analgesic effects. Larger doses depress the nervous system with loss of reflexes, coma, and respiratory depression leadmg to respiratory paralysis and death. Chronic effects include weight loss, muscular weakness, and mental fatigue. However, poisoning is rare. A hypnotic agent. Dangerous fire hazard when exposed to heat, flame, or oxidzers. Slight explosion hazard when exposed to heat or flame. Dangerous; keep away from heat and open flame. To fight fire, use alcohol foam, CO2, dry chemical. Potentially violent reaction with nitric acid. Incompatible with alkahes, hydrocyanic acid, iodides, oxidzers. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES
Hazardous Substances Data 123-63-7(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 1.65 g/kg (Figot)

Hazard Information

Material Safety Data Sheet(MSDS)

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