Articles:
(1alpha,2beta,5alpha)-2,6,6-trimethyl bicyclo(3.1.1)heptane
Notes:
None found
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 6876-13-7 cis-Pinane
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Foreverest Resources Ltd. Leading pine based chemicals supplier Supplying turpentine based and natural/extracted flavor & fragrance ingredients. FOREVERESTA® F&F RAW MATERIALS is a range of natural extracts and synthetic aroma chemicals based on the rich material resources and great supply network from China, which was applied for specialty chemicals industry. The markets cover application areas on food, beverage, custom fragrance, fine perfume, personal care, cosmetics, etc. Foreverest Resources Ltd. is a materials supplier, exporting gum turpentine based, terpene derivertives and natural/extracted monomers and intermediates from China since 1988. We offers high quality raw materials for flavors and fragrances synthetic manufacturing in the world. Email: Info Email: Sales Voice: +86 (0)592 5105533 Fax: +86 (0)592 5151667 foreverest 
Linkedin News Products List: View Product(s): Pinane 98% Pinane is a monoterpene and a carbobicyclic compound. It appears colorless oily liquid with mild odor.
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| CAS Number: | 6876-13-7 |  3D/inchi
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| Other(deleted CASRN): | 112456-47-0 | |
| ECHA EINECS - REACH Pre-Reg: | 229-978-9 | |
| FDA UNII: | TV65U59B7P | |
| Nikkaji Web: | J9.284C | |
| XlogP3-AA: | 3.90 (est) | |
| Molecular Weight: | 138.25346000 | |
| Formula: | C10 H18 | |
| 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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.81900 @ 25.00 °C. |
| Refractive Index: | 1.41500 @ 20.00 °C. |
| Boiling Point: | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 3.626000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.8 ( Air = 1 ) |
| Flash Point: | 107.00 °F. TCC ( 41.67 °C. ) |
| logP (o/w): | 4.686 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.731 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: balsamic | |
| Odor Strength: | medium |
| Substantivity: | 8 hour(s) at 100.00 % |
| fresh pine balsamic herbal | |
| Odor Description: at 100.00 %. | fresh pine balsam herbal Luebke, William tgsc, (1999) |
| 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. |
| cis-Pinane |
| Foreverest Resources |
| Pinane 98%
Odor: herbal Use: Pinane is a monoterpene and a carbobicyclic compound.
It appears colorless oily liquid with mild odor. |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 10 - Flammable. R 65 - Harmful: may cause lung damage if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 37/39 - Wear suitable gloves and eye/face protection. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. | |
| 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 > 5000 mg/kg Luebke, William tgsc, (1999) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (Z)-pinane usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Recommendation for (Z)-pinane 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): | 6876-13-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10129 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2319 |
| WGK Germany: | 2 |
| (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane | |
| Chemidplus: | 0006876137 |
References:
| (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 6876-13-7 |
| Pubchem (cid): | 10129 |
| Pubchem (sid): | 135067416 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB006371 |
| Export Tariff Code: | 2902.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| amyris | FR | |
| ash mountain ash | FR | |
| azalea | FR | |
| baby powder | FR | |
| balsam | FR | |
| beeswax absolute replacer | FR | |
| benzoin absolute replacer | FL/FR | |
| camphor tree bark | FL/FR | |
| cardamom oil replacer | FR | |
| cistus | FL/FR | |
| copaiba balsam | FL/FR | |
| coronilla | FR | |
| davana oil replacer | FR | |
| elemi | FR | |
| evergreen | FR | |
| fir | ||
| fir balsam | FR | |
| fir needle oil replacer | FR | |
| galbanum | FR | |
| habuba | FR | |
| herbal | FR | |
| hugonia | FR | |
| hyssop | FL/FR | |
| incense | FR | |
| juniper berry | FR | |
| labdanum | FR | |
| liverwort | ||
| mastic oil replacer | FR | |
| myrrh | FR | |
| opoponax | FR | |
| patchouli | FR | |
| peru balsam | FR | |
| pine | FR | |
| pine needle | FL/FR | |
| pine scotch pine | FL/FR | |
| pinion | FR | |
| styrax | FR | |
| tolu balsam | FR | |
| valerian | FL/FR | |
| vetiver | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| origanum onites shoot Search Trop Picture |
Synonyms:
| (Z)- | pinane |
| cis- | pinane |
| (1alpha,2beta,5alpha)-2,6,6- | trimethyl bicyclo(3.1.1)heptane |
| (Z)- | trimethyl bicycloheptane |
| (1S,5S)-2,6,6- | trimethylbicyclo[3.1.1]heptane |