Pentaerythritol

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Catalog Number : CS-T-38852
CAS Number : 115-77-5
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Category : API Standards, Alcohol, Phenols
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Canonical SMILES : C(C(CO)(CO)CO)O
Isomeric SMILES : C(C(CO)(CO)CO)O
InChI : InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InchIKey : WXZMFSXDPGVJKK-UHFFFAOYSA-N
Related CAS : 54640-10-7
IUPAC Name : 2,2-bis(hydroxymethyl)propane-1,3-diol
Exact Mass : 136.07355886
Color : Ditetragonal crystals from dilute hydrochloric acid
Odor : Odorless
Melting Point : 502 °F (USCG, 1999)
Boiling Point : Sublimes (NIOSH, 2016)
Solubility : 6 % at 59° F (NIOSH, 2016)
Density : 1.39 at 77 °F (USCG, 1999)
Chemical Classes : Other Classes -> Alcohols and Polyols, Other
Industry Uses : Adhesives and sealant chemicals
Consumer Uses : Adhesives and sealants
Hazard Class : Aquatic Chronic 3 (100%)
Description : Pentaerythritol is a tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups. It is a chemical intermediate used in the production of explosives, plastics, paints, appliances, and cosmetics. It has a role as a flame retardant and a laxative. It is a primary alcohol and a tetrol. It derives from a hydride of a neopentane.
Disposal Methods : SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.
EC Number : 204-104-9
Vapor Pressure : 8e-08 mm Hg (NIOSH, 2016)
Toxicity Summary : Pentaerythritol is a stable solid and the production volume was ca. 25,000 tonnes/year in 1996 and 1997 in Japan. The chemical is used as intermediate for alkyd resin, rosin ester, explosive and lubricants. No consumer use is reported... Predicted No Effect Concentration (PNEC) of the chemical was determined using a Daphnia magna 48 h immobility data (600 mg/L). The assessment factor of 1000 used to an acute toxicity data to determine PNEC, ... , because only one acute toxicity data is available among algae, cladocera and fishes. Thus, PNEC of the chemical is determined as 0.6 mg/l, tentatively. Thus, PEC / PNEC is 0.0072. Effects of the chemical on aquatic ecosystems are of low concern at present. Pentaerythritol was not mutagenic in bacterial and chromosomal aberration tests in vitro. The chemical is not considered as an irritant to the skin and the eyes, nor as a sensitizer. In a combined repeat dose and reproductive/developmental toxicity screening test, both male and female rats showed only soft feces and diarrhea. The chemical did not show any toxicity to parents and offspring. The no observed effect levels were 100 mg/kg/day for repeated dose toxicity and 1000 mg/kg/day for reproductive/developmental toxicity. For human health, the risk for workers is expected to be low because the margin of safety is 83.3 as the worst case. The risks for consumer and the general population through indirect exposure are also assumed to be low because a margin of safety through drinking water or fish is calculated to be 6.98 x 10+5 or 7.38 x 10+6.
Antidoteand Emergency Treatment : /SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/
Human Toxicity Excerpts : /HUMAN EXPOSURE STUDIES/ Pentaerythrite given orally to volunteers (up to 6 persons) produced in a dose above 5 g an increased amount of urine, in a dose above 10 g increased glucose (blood), in a dose above 50 g a slightly increased pulse rate. Excretion was rapid, complete within 30 hr. Most of the pentaerythrite ingested was eliminated unchanged in the urine. 13-15% was metabolized. Test substance purity approx. 99%.

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