Articles:
phenol, 4-(1-methylpropyl)-
Notes:
None found
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| CAS Number: | 99-71-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-781-5 | |
| FDA UNII: | WU4KME5B3X | |
| Nikkaji Web: | J362J | |
| Beilstein Number: | 1364714 | |
| MDL: | MFCD00002375 | |
| XlogP3: | 3.10 (est) | |
| Molecular Weight: | 150.22078000 | |
| Formula: | C10 H14 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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: | 61.50 °C. @ 760.00 mm Hg |
| Boiling Point: | 241.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 110.00 °C. @ 14.00 mm Hg |
| Vapor Pressure: | 0.024000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 240.00 °F. TCC ( 115.56 °C. ) |
| logP (o/w): | 3.080 |
| Soluble in: | |
| alcohol | |
| water, 960 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-sec-Butylphenol ≥98% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-sec-Butylphenol 96% |
| TCI AMERICA |
| For experimental / research use only. |
| 4-sec-Butylphenol >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-rat LD50 2450 mg/kg LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE GASTROINTESTINAL: OTHER CHANGES Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989. intravenous-mouse LD50 40 mg/kg BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. intraperitoneal-mouse LD50 66 mg/kg Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 4-sec-butyl phenol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 4-sec-butyl phenol 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): | 99-71-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7453 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 4-butan-2-ylphenol | |
| Chemidplus: | 0000099718 |
| RTECS: | SJ8924000 for cas# 99-71-8 |
References:
| 4-butan-2-ylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 99-71-8 |
| Pubchem (cid): | 7453 |
| Pubchem (sid): | 134972052 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C14139 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2907.19.8000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 4- | butan-2-yl phenol |
| 4-( | butan-2-yl)phenol |
| 4- | butan-2-ylphenol |
| 4-(2- | butyl) phenol |
| 4-(2- | butyl)phenol |
| 4-(sec- | butyl)phenol |
| p-(sec- | butyl)phenol |
| 4-sec- | butylphenol |
| p-sec- | butylphenol |
| para-sec- | butylphenol |
| 1- | hydroxy-4-sec-butyl benzene |
| 1- | hydroxy-4-sec-butylbenzene |
| 4-( | methylpropyl)phenol |
| 4-(1- | methylpropyl)phenol |
| phenol, 4-(1-methylpropyl)- | |
| phenol, p-(sec-butyl)- | |
| phenol, p-sec-butyl- |