Articles:
4(10)-thujen-3-ol, acetate
Notes:
present in essential oils.
| CAS Number: | 3536-54-7 |  3D/inchi
|
| Nikkaji Web: | J103.999G | |
| MDL: | MFCD08460275 | |
| XlogP3-AA: | 2.40 (est) | |
| Molecular Weight: | 194.27386000 | |
| Formula: | C12 H18 O2 | |
| 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:
| Appearance: | colorless clear liquid (est) |
| Assay: | 92.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 230.00 to 231.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.066000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 183.00 °F. TCC ( 83.89 °C. ) |
| logP (o/w): | 2.861 (est) |
| Soluble in: | |
| alcohol | |
| water, 13.2 mg/L @ 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. |
| Sabinyl Acetate (GC) ≥90% |
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: | natural substances and extractives | ||
| Recommendation for sabinyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for sabinyl acetate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 94266 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate | |
| Chemidplus: | 0003536547 |
References:
| (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 94266 |
| Pubchem (sid): | 135050342 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB006949 |
| 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
| angelica root oil @ 0.15% Data GC Search Trop Picture | |
| boldo leaf oil italy @ 4.28% Data GC Search Trop Picture | |
| boldus leaf oil chile @ 2.36% Data GC Search Trop Picture | |
| hyssop oil @ 0.3% Data GC Search Trop Picture | |
| laurel leaf oil turkey @ 0.10% Data GC Search Trop Picture | |
| lime oil distilled mexico @ 0.01% Data GC Search Trop Picture | |
| rosemary leaf Search Trop Picture | |
| rosemary oil egypt @ 0.11% Data GC Search Trop Picture | |
| sage oil spain @ 0.30% Data GC Search Trop Picture | |
| sage plant Search Trop Picture | |
| valerian root oil CO2 extract china @ 3.03% Data GC Search Trop Picture | |
| wormwood oil italy @ 1.6% Data GC Search Trop Picture | |
| wormwood oil poland @ 20.13% Data GC Search Trop Picture |
Synonyms:
| bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, acetate | |
| bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, acetate | |
| 4- | methylene-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-ol acetate |
| 4- | methylene-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-yl acetate |
| (4- | methylidene-1-propan-2-yl-3-bicyclo(3.1.0)hexyl) acetate |
| (4- | methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate |
| sabinene hydrate acetate | |
| 4(10)- | thujen-3-ol acetate |
| 4(10)- | thujen-3-ol, acetate |