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pentaerythritol
1,3-propanediol, 2,2-bis(hydroxymethyl)-

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Name:2,2-bis(hydroxymethyl)propane-1,3-diol
CAS Number: 115-77-5Picture of molecule3D/inchi
Other(deleted CASRN):75398-86-6
ECHA EINECS - REACH Pre-Reg:204-104-9
FDA UNII: SU420W1S6N
Nikkaji Web:J5.273F
Beilstein Number:1679274
MDL:MFCD00004692
XlogP3-AA:-2.40 (est)
Molecular Weight:136.14744000
Formula:C5 H12 O4
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:humectants, skin conditioning
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Contact Materials:pentaerythritol
FDA Mainterm (IAUFC):115-77-5 ; PENTAERYTHRITOL
 
Physical Properties:
Appearance:white solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 260.00 °C. @ 760.00 mm Hg
Soluble in:
 water, 7.23E+04 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: humectants
skin conditioning
 
Suppliers:
BOC Sciences
For experimental / research use only.
pentaerythritol 98%
Covalent Chemical
Pentaerythritol, 95%min and 98%min
EMD Millipore
For experimental / research use only.
Pentaerythritol
Glentham Life Sciences
Pentaerythritol
Shiva Chemicals and Pharmaceuticals
Pentaerythritol(95%/98%)
Sigma-Aldrich: Aldrich
For experimental / research use only.
Pentaerythritol 99%
Silver Fern Chemical
Monopentaerythritol
Odor: characteristic
Use: Monopentaerythritol is used in alkyd resins, tall oil esters, certain varnishes, pharmaceuticals, plasticizers, insecticides, lubricants, explosives, and paint swelling agents.
TCI AMERICA
For experimental / research use only.
Pentaerythritol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-guinea pig LD50 11300 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA
Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.

oral-mouse LD50 25500 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: TREMOR BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.

oral-rabbit LD50 18500 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH LIVER: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(2), Pg. 25, 1971.

oral-rat LD50 19500 mg/kg
LIVER: OTHER CHANGES BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(2), Pg. 25, 1971.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC > 11000 mg/m3/6H
Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.

 
Safety in Use Information:
Category:
humectants, skin conditioning
Recommendation for pentaerythritol usage levels up to:
 not for fragrance use.
 
Recommendation for pentaerythritol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):115-77-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8285
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2,2-bis(hydroxymethyl)propane-1,3-diol
Chemidplus:0000115775
EPA/NOAA CAMEO:hazardous materials
RTECS:115-77-5
 
References:
 2,2-bis(hydroxymethyl)propane-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:115-77-5
Pubchem (cid):8285
Pubchem (sid):134975039
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
CHEMBL:View
KEGG (GenomeNet):D08331
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.42.0000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 auxinutril
 hercules P6
2,2-bis(hydroxymethyl)propane-1,3-diol
 maxinutril
 pentek
1,3-propanediol, 2,2-bis(hydroxymethyl)-
 tetrakis(hydroxymethyl)methane
 
 
Notes:
None found
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