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benzocyclopentene
Notes:
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| CAS Number: | 95-13-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-393-6 | |
| FDA UNII: | 67H8Y6LB8A | |
| Nikkaji Web: | J4.708B | |
| Beilstein Number: | 635873 | |
| MDL: | MFCD00003777 | |
| XlogP3: | 2.90 (est) | |
| Molecular Weight: | 116.16276000 | |
| Formula: | C9 H8 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: fragrance 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 |
| FDA Mainterm (IAUFC): | 95-13-6 ; INDENE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99000 to 0.99700 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.247 to 8.306 |
| Refractive Index: | 1.57000 to 1.57500 @ 20.00 °C. |
| Boiling Point: | 182.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.200000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 120.00 °F. TCC ( 48.89 °C. ) |
| logP (o/w): | 2.920 |
| Soluble in: | |
| water, 332.4 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Indene 90+% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Indene ≥99% |
| TCI AMERICA |
| For experimental / research use only. |
| Indene >93.0%(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-mammal (species unspecified) LD50 > 5000 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. unreported-mouse LD50 1800 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(4), Pg. 104, 1976. unreported-rat LD50 2300 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(4), Pg. 104, 1976. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
|
inhalation-rat LC50 14000 mg/m3 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(4), Pg. 104, 1976. | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for indene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| NIOSH Pocket Guide: | search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 95-13-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7219 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| 1H-indene | |
| Chemidplus: | 0000095136 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | NK8225000 for cas# 95-13-6 |
References:
| 1H-indene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 95-13-6 |
| Pubchem (cid): | 7219 |
| Pubchem (sid): | 134971591 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2902.90.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| benzocyclopentene | |
| 1H- | indene |
| indonaphthene |