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hexanoic acid, monoethyl ester (9CI)
Notes:
None found
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| CAS Number: | 626-86-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 210-966-7 | |
| Nikkaji Web: | J21.767K | |
| Beilstein Number: | 1769469 | |
| MDL: | MFCD00004419 | |
| XlogP3-AA: | 0.60 (est) | |
| Molecular Weight: | 174.19638000 | |
| Formula: | C8 H14 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: information only not used for fragrances or flavors
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: | 0.98000 @ 25.00 °C. |
| Refractive Index: | 1.43900 @ 20.00 °C. |
| Melting Point: | 29.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 285.00 °C. @ 760.00 mm Hg |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 0.910 |
| Soluble in: | |
| water, 7.60E+04 mg/L @ 25 °C (exp) | |
| water, 2.436e+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. |
| Adipic acid monoethyl ester 95% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Adipic acid monoethyl ester |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Adipic acid monoethyl ester 97% |
| TCI AMERICA |
| For experimental / research use only. |
| monoEthyl Adipate >97.0%(GC)(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-mammal (species unspecified) LD50 4100 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: EXCITEMENT Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(10), Pg. 39, 1977. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | information only not used for fragrances or flavors | ||
| Recommendation for monoethyl adipate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for monoethyl adipate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 626-86-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12295 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 6-ethoxy-6-oxohexanoic acid | |
| Chemidplus: | 0000626868 |
| RTECS: | AV2030000 for cas# 626-86-8 |
References:
| 6-ethoxy-6-oxohexanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12295 |
| Pubchem (sid): | 134978500 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2917.12.5000 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| adipic acid monoethyl ester | |
| adipic acid, monoethyl ester | |
| 6- | ethoxy-6-oxohexanoic acid |
| mono | ethyl adipic acid ester |
| mono | ethyl hexane dioate |
| ethyl hydrogen adipate | |
| hexane dioic acid monoethyl ester | |
| hexanoic acid monoethyl ester | |
| hexanoic acid, monoethyl ester (9CI) |