Articles:
1-piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-
Notes:
a dipolar ionic buffer.
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| 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (Click)
IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
Std.InChI: InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChI: InChI=1/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
Std.InChIKey: JKMHFZQWWAIEOD-UHFFFAOYSA-N
InChIKey: JKMHFZQWWAIEOD-UHFFFAOYAC
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
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| CAS Number: | 7365-45-9 | 
|
| ECHA EINECS - REACH Pre-Reg: | 230-907-9 | |
| FDA UNII: | RWW266YE9I | |
| Nikkaji Web: | J29.038F | |
| Beilstein Number: | 0883043 | |
| MDL: | MFCD00006158 | |
| XlogP3-AA: | -4.00 (est) | |
| Molecular Weight: | 238.30726000 | |
| Formula: | C8 H18 N2 O4 S | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: buffering agents
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 |
| Melting Point: | 234.00 °C. @ 760.00 mm Hg |
| Flash Point: | 32.00 °F. TCC ( 0.00 °C. ) (est) |
| logP (o/w): | -2.670 (est) |
| Soluble in: | |
| water, 1e+006 mg/L @ 25 °C (est) | |
Organoleptic Properties:
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
buffering agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| HEPES >98% |
| EMD Millipore |
| For experimental / research use only. |
| HEPES, Free Acid, Molecular Biology Grade |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| HEPES ≥99% |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| HEPES ≥99.5% (titration) |
| TCI AMERICA |
| For experimental / research use only. |
| 2-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonic Acid [Good's buffer component for biological research] >99.0%(T) |
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-quail LD50 > 316 mg/kg Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | buffering agents | ||
| Recommendation for hydroxyethylpiperazine ethane sulfonic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for hydroxyethylpiperazine ethane sulfonic acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| Env. Mutagen Info. Center: | Search |
| EPA Substance Registry Services (TSCA): | 7365-45-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 23831 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid | |
| Chemidplus: | 0007365459 |
| RTECS: | TL6809000 for cas# 7365-45-9 |
References:
| 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7365-45-9 |
| Pubchem (cid): | 23831 |
| Pubchem (sid): | 134987104 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2933.59.9500 |
| Haz-Map: | View |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| HEPES | |
| 4-(2- | hydroxyethyl) piperazin-1-ylethane sulfonic acid |
| 4-(2- | hydroxyethyl)-1-piperazineethane sulfonic acid |
| 4-(2- | hydroxyethyl)-1-piperazineethanesulfonic acid |
| 2-[4-(2- | hydroxyethyl)piperazin-1-yl]ethanesulfonic acid |
| 4-(2- | hydroxyethyl)piperazin-1-ylethanesulphonic acid |
| N-2- | hydroxyethylpiperazine N',2'-ethanesulfonic acid |
| N-2- | hydroxyethylpiperazine-N-ethane sulfonic acid |
| N-2- | hydroxyethylpiperazine-N'-ethanesulfonic acid |
| 1- | piperazineethanesulfonic acid, 4-(2-hydroxyethyl)- |