F745923
Pentaerythritol , 98+ , 115-77-5
Synonym(s):
2,2-Bis(hydroxymethyl)-1,3-propanediol;Pentaerythritol
CAS NO.：115-77-5
Empirical Formula: C5H12O4
Molecular Weight: 136.15
MDL number: MFCD00004692
EINECS: 204-104-9
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| Flash point: | 240 °C |
| storage temp. | Store below +30°C. |
| solubility | H2O: 0.1 g/mL, clear, colorless |
| pka | 13.55±0.10(Predicted) |
| form | Crystals |
| color | White |
| Odor | odorless |
| PH | 3.5-4.5 (100g/l, H2O, 35℃) |
| 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:TLV-TWA 10 mg/m3,Inhalable particulate matter OSHA:PEL-TWA 15 mg/m3 (total dust),5 mg/m3 (respirable fraction) NIOSH:REL-TWA 10 mg/m3 (total dust),5 mg/m3 (respirable fraction) |
| Stability: | Stable. Incompatible with strong acids, strong oxidizing agents, acid chlorides, acid anhydrides. Combustible. |
| 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 | Pentaerythritol (115-77-5) |
Description and Uses
Pentaerythritol is a versatile starting material to synthesize various dendrimers and star-shaped polymers. It is widely used in the preparation of flame-retardant epoxy resins and polymer composites. It is also used in the synthesis of the vasodilator, pentaerythritol tetranitrate (PETN).
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
| PPE | Eyeshields, Gloves, type N95 (US) |
| Risk Statements | 33 |
| Safety Statements | 24/25 |
| OEB | B |
| OEL | TWA: 10 mg/m3 (total) |
| WGK Germany | 1 |
| RTECS | RZ2490000 |
| Autoignition Temperature | 490 °C |
| TSCA | TSCA listed |
| HS Code | 29054200 |
| Storage Class | 11 - Combustible Solids |
| Hazardous Substances Data | 115-77-5(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: > 5110 mg/kg LD50 dermal Rabbit > 10000 mg/kg |
| REACH Registrations | Active |
