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trimethyl phosphonoacetate
acetic acid, 2-(dimethoxyphosphinyl)-, methyl ester

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Name:methyl 2-dimethoxyphosphorylacetate
CAS Number: 5927-18-4Picture of molecule3D/inchi
Other(deleted CASRN):51298-31-8
ECHA EINECS - REACH Pre-Reg:227-663-0
FDA UNII: Search
Nikkaji Web:J227E
Beilstein Number:1865177
MDL:MFCD00008452
XlogP3-AA:-0.60 (est)
Molecular Weight:182.11243200
Formula:C5 H11 O5 P
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.12500 @ 25.00 °C.
Refractive Index:1.43700 @ 20.00 °C.
Boiling Point: 311.00 °C. @ 760.00 mm Hg (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): -0.680 (est)
Soluble in:
 water, 8.702e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Trimethyl Phosphonoacetate
Kingchem Laboratories
TRIMETHYL PHOSPHONOACETATE
Santa Cruz Biotechnology
For experimental / research use only.
Trimethyl Phosphonoacetate
Sigma-Aldrich
For experimental / research use only.
Trimethyl Phosphonoacetate purum, ≥98.0% (GC)
TCI AMERICA
For experimental / research use only.
Trimethyl Phosphonoacetate >96.0%(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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for trimethyl phosphonoacetate usage levels up to:
 not for fragrance use.
 
Recommendation for trimethyl phosphonoacetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
EPA Substance Registry Services (TSCA):5927-18-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :80029
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 2-dimethoxyphosphorylacetate
Chemidplus:0005927184
 
References:
 methyl 2-dimethoxyphosphorylacetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):80029
Pubchem (sid):135038648
 
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
Metabolomics Database:Search
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2931.90.9047
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetic acid, (dimethoxyphosphinyl)-, methyl ester
 acetic acid, 2-(dimethoxyphosphinyl)-, methyl ester
 methyl 2-dimethoxyphosphorylacetate
 trimethylacetyl phosphate
 

Articles:

PubMed:Organophosphorus reagents in organocatalysis: synthesis of optically active α-methylene-δ-lactones and δ-lactams.
PubMed:Kinetic mechanism of fuculose-1-phosphate aldolase from the hyperthermophilic archaeon Methanococcus jannaschii.
PubMed:Use of lithium hexafluoroisopropoxide as a mild base for Horner-Wadsworth-Emmons olefination of epimerizable aldehydes.
PubMed:A Mechanistic Study of the Horner-Wadsworth-Emmons Reaction: Computational Investigation on the Reaction Pass and the Stereochemistry in the Reaction of Lithium Enolate Derived from Trimethyl Phosphonoacetate with Acetaldehyde.
 
Notes:
None found
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