77-99-6

Name Trimethylol propane
CAS 77-99-6
EINECS(EC#) 201-074-9
Molecular Formula C6H14O3
MDL Number MFCD00004694
Molecular Weight 134.17
MOL File 77-99-6.mol

Chemical Properties

Appearance Colorless, hygroscopic crystals. Soluble in water and alcohol. Combustible.
Melting point  56-58 °C(lit.)
Boiling point  159-161 °C2 mm Hg(lit.)
bulk density 700kg/m3
density  1.176
vapor density  4.8 (vs air)
vapor pressure  <1 mm Hg ( 20 °C)
refractive index  1.4850 (estimate)
Fp  172 °C
storage temp.  Store below +30°C.
solubility  H2O: 0.1 g/mL, clear
form  Flakes
pka 14.01±0.10(Predicted)
color  White
PH 6.5 (100g/l, H2O, 20℃)(External MSDS)
explosive limit 2-11.8%(V)
Water Solubility  soluble
BRN  1698309
Henry's Law Constant 1.2×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions HUMECTANT
SOLVENT
InChI 1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChIKey ZJCCRDAZUWHFQH-UHFFFAOYSA-N
SMILES CCC(CO)(CO)CO
LogP -0.975 (est)
Uses
Conditioning agent, manufacture of varnishes, alkyd resins, synthetic drying oils, urethane foams and coatings, silicone lubricant oils, lactone plasticizers, textile finishes, surfactants, epoxidation products.
CAS DataBase Reference 77-99-6(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-(77-99-6)
EPA Substance Registry System 77-99-6(EPA Substance)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H361fd
Precautionary statements  P201-P202-P280-P308+P313-P405-P501
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  TY6470000
Autoignition Temperature 375 °C DIN 51794
TSCA  Yes
REACH Registrations Active
HS Code  29054100
Storage Class 11 - Combustible Solids
Hazard Classifications Repr. 2
Hazardous Substances Data 77-99-6(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: > 2500 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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