Articles:
| None found yet. Try the PubMed Search. |
1,3-cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5S)-
Notes:
Flavouring agent. Constit. of many essential oils including bitter fennel, elemi and ginger-grass oils. Oil of Ridolfia segetum is a major source (85%)
Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia)
| CAS Number: | 2243-33-6 |  3D/inchi
|
| FDA UNII: | E45FS72C5K | |
| Nikkaji Web: | J85.996F | |
| Beilstein Number: | 3194394 | |
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 136.23752000 | |
| Formula: | C10 H16 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 171.00 to 172.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 1.856000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 111.00 °F. TCC ( 43.70 °C. ) (est) |
| logP (o/w): | 4.432 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.862 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: | dill |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 443160 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene | |
| Chemidplus: | 0002243336 |
References:
| Leffingwell: | Chirality or Article |
| (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 443160 |
| Pubchem (sid): | 135267263 |
| Flavornet: | 2243-33-6 |
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 |
| KEGG (GenomeNet): | C11391 |
| HMDB (The Human Metabolome Database): | HMDB34970 |
| FooDB: | FDB013568 |
| Typical G.C. | |
| 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
| cinnamon ceylon cinnamon leaf oil Search Trop Picture | |
| dill seed Search Trop Picture | |
| dill shoot Search Trop Picture | |
| elemi Search Trop Picture | |
| fennel bitter fennel Search Trop Picture | |
| fennel oil Search Trop Picture | |
| gingergrass oil Search Trop Picture | |
| tea tree oil @ trace% Data GC Search Trop Picture | |
| turmeric rhizome Search Trop Picture | |
| turmeric rhizome oil Search Trop Picture | |
| turmeric root Search Trop Picture | |
| turmeric root oil Search Trop Picture |
Synonyms:
| 1,3- | cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5S)- |
| (4S)-p- | mentha-1,5-diene |
| (4S)-p- | mentha-1(6),2-diene |
| (5S)-2- | methyl-5-(1-methylethyl)cyclohexadiene |
| (5S)-2- | methyl-5-(propan-2-yl)cyclohexa-1,3-diene |
| (5S)-2- | methyl-5-propan-2-ylcyclohexa-1,3-diene |
| (+)-(4S)-alpha- | phellandrene |
| (+)-a- | phellandrene |
| (+)-alpha- | phellandrene |
| (4S)-(+)-alpha- | phellandrene |
| (S)-(+)- | phellandrene |
| (S)-(+)-a- | phellandrene |
| (5S)-5-iso | propyl-2-methylcyclohexa-1,3-diene |
| (S)-5-iso | propyl-2-methylcyclohexa-1,3-diene |