Articles:
1,3-cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
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): 4221-98-1 (R)-(-)-Phellandrene 95%
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): M0051 (-)-a-Phellandrene >65.0%(GC)
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Ernesto Ventós S.A. Leaders in essence We employ our five senses to do our job well. Ventos has specialized in the distribution of raw materials for the flavour and fragrance industry. With more than 1700 references permanently available from stock, we offer a just-in-time response to our customer needs, being able to deliver from 1kg to several tonnes all over the world. Email: Information US Email: Information USA Email: Gemma Parramon (Europe) US Email: Gemma Parramon (Europe) Email: Jorge Sos (Asia) Email: Ramon Rubau (America) Voice: +34 934706210 Fax: +34 934733010 US Voice: +1 856 226 7501 Instagram Linkedin Youtube Press Ads Videos Product(s): PHELLANDRENE, ALPHA NATURAL >70%
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| CAS Number: | 4221-98-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 224-167-6 | |
| FDA UNII: | 56UV8X65K0 | |
| Nikkaji Web: | J9.340H | |
| Beilstein Number: | 2497824 | |
| MDL: | MFCD00062988 | |
| CoE Number: | 2117 | |
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 136.23752000 | |
| Formula: | C10 H16 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | CASrn 35944-22-0 to be introduced in the Register. | |
Category: flavor and 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: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92800 to 0.93400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.722 to 7.772 |
| Refractive Index: | 1.49500 to 1.50100 @ 20.00 °C. |
| Boiling Point: | 171.00 to 173.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.856000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 110.00 °F. TCC ( 43.33 °C. ) |
| logP (o/w): | 4.408 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| paraffin oil | |
| water, 2.862 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: terpenic | |
| terpenic spicy medicinal | |
| Odor Description: at 100.00 %. | terpene spicy medicinal |
| 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. |
| (R)-(-)-Phellandrene 95% |
| Ernesto Ventós |
| PHELLANDRENE, ALPHA NATURAL >70% |
| Parchem |
| (R)-(-)-alpha-phellandrene |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| (R)-(-)-a-Phellandrene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| (R)-(-)-a-Phellandrene purum, ≥95.0% (sum of enantiomers, GC) |
| TCI AMERICA |
| For experimental / research use only. |
| (-)-a-Phellandrene >65.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 10 - Flammable. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (R)-(-)-alpha-phellandrene usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of aliphatic and aromatic terpene hydrocarbons used as flavour ingredients. View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 4221-98-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 442482 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2319 |
| WGK Germany: | 3 |
| (5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene | |
| Chemidplus: | 0004221981 |
References:
| Leffingwell: | Chirality or Article |
| (5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4221-98-1 |
| Pubchem (cid): | 442482 |
| Pubchem (sid): | 134985685 |
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): | C09875 |
| HMDB (The Human Metabolome Database): | HMDB35851 |
| Export Tariff Code: | 2902.19.0050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| cypress oil replacer | FR | |
| fir | ||
| herbal | FR | |
| lavandin | FR | |
| lavender | FR | |
| pine | FR |
Occurrence (nature, food, other): note
| found in nature | |
| melaleuca alternifolia leaf oil @ trace% Data GC Search Trop Picture |
Synonyms:
| 1,3- | cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)- |
| 1,3- | cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)- |
| (-)-p- | mentha-1,5-diene |
| (-)-para- | mentha-1,5-diene |
| (4R)-p- | mentha-1,5-diene |
| (4R)-p- | mentha-1(6),2-diene |
| (R)-5-(1- | methyl ethyl)-2-methyl-1,3-cyclohexadiene |
| (theta)-2- | methyl-5-(1-methyl ethyl)-1,3-cyclohexadiene |
| (5R)-2- | methyl-5-(1-methylethyl)-1,3-cyclohexadiene |
| (R)-2- | methyl-5-(1-methylethyl)-1,3-cyclohexadiene |
| (5R)-2- | methyl-5-(propan-2-yl)cyclohexa-1,3-diene |
| (5R)-2- | methyl-5-propan-2-ylcyclohexa-1,3-diene |
| (R)-5-(1- | methylethyl)-2-methyl-1,3-cyclohexadiene |
| (-)-a- | phellandrene |
| (R)-(-)- | phellandrene |
| (R)-(-)-a- | phellandrene |
| (R)-(-)-alpha- | phellandrene |
| alpha- | phellandrene laevo-form |
| iso | propyl methyl cyclohexadiene |
| (R)-5-iso | propyl-2-methyl cyclohexa-1,3-diene |
| (R)-5-iso | propyl-2-methyl-1,3-cyclohexadiene |
| (5R)-5-iso | propyl-2-methylcyclohexa-1,3-diene |
| (R)-5-iso | propyl-2-methylcyclohexa-1,3-diene |
| iso | propylmethylcyclohexadiene |