Articles:
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3-oxatricyclo(4.1.1.0(sup 2,4))octane, 2,7,7-trimethyl- (9CI)
Notes:
None found
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| CAS Number: | 1686-14-2 |  3D/inchi
|
| Other(deleted CASRN): | 25488-94-2 | |
| ECHA EINECS - REACH Pre-Reg: | 216-869-6 | |
| Nikkaji Web: | J77.231C | |
| Beilstein Number: | 0080362 | |
| MDL: | MFCD00066955 | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 152.23672000 | |
| Formula: | C10 H16 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 |
| Specific Gravity: | 0.96500 to 0.96900 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.039 to 8.072 |
| Refractive Index: | 1.46700 to 1.47100 @ 20.00 °C. |
| Boiling Point: | 188.00 to 189.00 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 102.00 to 103.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.819000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 150.00 °F. TCC ( 65.60 °C. ) (est) |
| logP (o/w): | 2.339 (est) |
| Soluble in: | |
| alcohol | |
| water, 260.6 mg/L 2 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| ExtraSynthese |
| For experimental / research use only. |
| alpha-Pineneoxide (GC) ≥95% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| alpha-Pinene Oxide |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| a-Pinene oxide 97% |
| TCI AMERICA |
| For experimental / research use only. |
| a-Pinene Oxide >95.0%(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: | |
|
intramuscular-mouse LD50 100 mg/kg Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 2,3-epoxypinane usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 2,3-epoxypinane flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1686-14-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 91508 |
| National Institute of Allergy and Infectious Diseases: | Data |
| Chemidplus: | 0001686142 |
| RTECS: | TK4565000 for cas# 1686-14-2 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1686-14-2 |
| Pubchem (cid): | 91508 |
| Pubchem (sid): | 135049165 |
| Pherobase: | View |
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 |
| UM BBD: | Search |
| HMDB (The Human Metabolome Database): | HMDB03667 |
| Export Tariff Code: | 2910.90.9100 |
| Typical G.C. | |
| 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
| juniper formosan juniper Search Trop Picture | |
| labdanum oil @ 0.23% Data GC Search Trop Picture | |
| lemon balm Search Trop Picture | |
| lettuce lamb's lettuce Search Trop Picture | |
| nutmeg calabash nutmeg Search PMC Picture | |
| ocotea floribunda Search Trop Picture | |
| pepper Search PMC Picture |
Synonyms:
| (-)-2,3- | epoxypinane |
| pinane, 2,3-epoxy- | |
| a- | pinene 2,3-oxide |
| a- | pinene epoxide |
| alpha- | pinene epoxide |
| 2- | pinene oxide |
| a- | pinene oxide |
| alpha- | pinene oxide |
| a- | pineneoxide |
| 3-oxa | tricyclo(4.1.1.0(sup 2,4))octane, 2,7,7-trimethyl- (9CI) |
| 3-oxa | tricyclo(4.1.1.02,4)octane, 2,7,7-trimethyl- |
| 3-oxa | tricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl- |
| 3-oxa | tricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl- |
| 2,7,7- | trimethyl-3-oxatricyclo(4.1.1.0(sup 2,4))octane |
| 2,7,7- | trimethyl-3-oxatricyclo(4.1.1.02,4)octane |
| 2,7,7- | trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane |
| 2,7,7- | trimethyl-3-oxatricyclo[4.1.1.02,4]octane |