115-77-5

Name Pentaerythritol
CAS 115-77-5
EINECS(EC#) 204-104-9
Molecular Formula C5H12O4
MDL Number MFCD00004692
Molecular Weight 136.15
MOL File 115-77-5.mol

Chemical Properties

Appearance white crystalline solid
Melting point  253-258 °C (lit.)
Boiling point  276 °C/30 mmHg (lit.)
bulk density 750-850kg/m3
density  1.396
vapor pressure  <1 mm Hg ( 20 °C)
refractive index  1.548
Fp  240 °C
storage temp.  Store below +30°C.
solubility  H2O: 0.1 g/mL, clear, colorless
form  Crystals
pka 13.55±0.10(Predicted)
color  White
Odor odorless
PH 3.5-4.5 (100g/l, H2O, 35℃)
Stability: Stable. Incompatible with strong acids, strong oxidizing agents, acid chlorides, acid anhydrides. Combustible.
Water Solubility  1 g/18 mL (15 ºC)
Sensitive  Hygroscopic
Merck  14,7111
BRN  1679274
Henry's Law Constant 7.3×1010 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Exposure limits ACGIH: TWA 10 mg/m3
OSHA: TWA 15 mg/m3; TWA 5 mg/m3
NIOSH: TWA 10 mg/m3; TWA 5 mg/m3
Cosmetics Ingredients Functions SKIN CONDITIONING
HUMECTANT
InChI 1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InChIKey WXZMFSXDPGVJKK-UHFFFAOYSA-N
SMILES OCC(CO)(CO)CO
LogP -1.7 at 22℃
CAS DataBase Reference 115-77-5(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Propanediol, 2,2-bis(hydroxymethyl)-(115-77-5)
EPA Substance Registry System 115-77-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Risk Statements 
R33:Danger of cumulative effects.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
OEB B
OEL TWA: 10 mg/m3 (total)
WGK Germany  1
RTECS  RZ2490000
Autoignition Temperature 490 °C
TSCA  Yes
REACH Registrations Active
HS Code  29054200
Storage Class 11 - Combustible Solids
Safety Profile
Mildly toxic by ingestion. A nuisance dust. Flammable from heat or flame or oxidizers. Wxtures with thiophosphoryl chloride react when heated to form a product that ignites and then explodes on contact with air. Used in coatings, stabdizers, explosives, P.E.T.N resins, drugs, insecticides, and lubricants When heated to decomposition it emits acrid smoke and irritating fumes
Hazardous Substances Data 115-77-5(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: > 5110 mg/kg LD50 dermal Rabbit > 10000 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

Questions And Answer

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