Articles:
trans-4-thujanol
Notes:
Flavouring compound [Flavornet]
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| CAS Number: | 17699-16-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 241-703-4 | |
| FDA UNII: | DS203S42BJ | |
| Nikkaji Web: | J283.028K | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 154.25266000 | |
| Formula: | C10 H18 O | |
| 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: | 201.00 to 202.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.075000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 176.00 °F. TCC ( 80.00 °C. ) |
| logP (o/w): | 2.529 (est) |
| Soluble in: | |
| alcohol | |
| water, 440.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | woody balsam |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| (2R,5R)-2-Methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol 95% |
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 | |||
| Recommendation for (E)-sabinene hydrate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
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 : | 6326181 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol | |
| Chemidplus: | 017699160 |
References:
| (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6326181 |
| Pubchem (sid): | 135042803 |
| Flavornet: | 17699-16-0 |
| 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: | FDB029677 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| ajowan seed oil turkey @ 0.19% Data GC Search Trop Picture | |
| bergamot plant wild Search Trop Picture | |
| blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.012% Data GC Search Trop Picture | |
| blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.009% Data GC Search Trop Picture | |
| blood orange oil italy @ 0.016% Data GC Search Trop Picture | |
| carrot seed oil spain @ 0.03-0.62% Data GC Search Trop Picture | |
| cassis bud oil @ trace-0.54% Data GC Search Trop Picture | |
| crithmum maritimum l. oil turkey @ 0.90% Data GC Search Trop Picture | |
| cubeb oil @ trace% Data GC Search Trop Picture | |
| curry leaf oil india @ <0.05% Data GC Search Trop Picture | |
| ferula cupularis flower oil @ 0.48% Data GC Search Trop Picture | |
| grapefruit oil c.p. @ trace% Data GC Search Trop Picture | |
| grapefruit oil california @ 0.06% Data GC Search Trop Picture | |
| grapefruit oil CO2 extract @ 0.01% Data GC Search Trop Picture | |
| hyptis suaveolens (l.) poit. oil mali @ trace-0.10% Data GC Search Trop Picture | |
| juniper berry oil CO2 extract @ 0.50% Data GC Search Trop Picture | |
| laurel leaf oil turkey @ <0.10% Data GC Search Trop Picture | |
| lavender oil france @ 0.11% Data GC Search Trop Picture | |
| layana oil kenya @ 0.43% Data GC Search Trop Picture | |
| layana oil wild zimbabwe @ 1.80-4.40% Data GC Search Trop Picture | |
| layana oil zimbabwe @ 3.5% Data GC Search Trop Picture | |
| lemon verbena oil morocco @ 0.6% Data GC Search Trop Picture | |
| lemon verbena oil turkey @ 0.80% Data GC Search Trop Picture | |
| lime oil expressed florida @ 0.1% Data GC Search Trop Picture | |
| mace oil @ 0.20% Data GC Search Trop Picture | |
| mace oil CO2 extract @ 0.90% Data GC Search Trop Picture | |
| mandarin oil italy @ 0.04% Data GC Search Trop Picture | |
| mandarin oil uruguay @ trace% Data GC Search Trop Picture | |
| marjoram oil spain @ 0.40% Data GC Search Trop Picture | |
| marjoram oil sweet cyprus @ 1.50-4.70% Data GC Search Trop Picture | |
| marjoram oil sweet iran @ 3.10% Data GC Search Trop Picture | |
| marjoram oil sweet turkey @ 0.51-0.70% Data GC Search Trop Picture | |
| marjoram pot oil turkey @ 0.05-1.41% Data GC Search Trop Picture | |
| myristica fragrans fruit oil @ 0.50% Data GC Search Trop Picture | |
| nutmeg extract CO2 west indian @ 1.00% Data GC Search Trop Picture | |
| nutmeg oil hydrodistilled india @ 0.5% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.010% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.011% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.019% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.022% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.027% Data GC Search Trop Picture | |
| peppermint oil america @ 1.14% Data GC Search Trop Picture | |
| peppermint oil mongolia @ trace% Data GC Search Trop Picture | |
| peppermint oil russia @ 2.29% Data GC Search Trop Picture | |
| petitgrain combava oil @ 0.14% Data GC Search Picture | |
| petitgrain mandarin oil @ 2.54% Data GC Search Trop Picture | |
| plectranthus glandulosus hook f. leaf oil cameroon @ trace% Data GC Search Trop Picture | |
| protium heptaphyllum (aubl.) march resin oil brazil @ 0.30% Data GC Search Trop Picture | |
| ravintsara leaf oil @ 0.08%% Data GC Search Picture | |
| rosemary oil france @ 0.09-0.12% Data GC Search Trop Picture | |
| rosemary oil morocco @ 0.04-0.19% Data GC Search Trop Picture | |
| rosemary oil turkey @ 1.44% Data GC Search Trop Picture | |
| sage oil spain @ 0.1-0.6% Data GC Search Trop Picture | |
| sage oil spain @ 0.10% Data GC Search Trop Picture | |
| savory oil summer @ 0.10-0.42% Data GC Search Trop Picture | |
| savory oil winter @ 1.70% Data GC Search Trop Picture | |
| savory oleoresin winter @ 1.70% Data GC Search Trop Picture | |
| spearmint oil america @ 0.95-1.43% Data GC Search Trop Picture | |
| thevetia peruviana (pers.) k. schum. flower oil brazil @ 0.60% Data GC Search Trop Picture | |
| thyme oil portuguese @ 0.2% Data GC Search Trop Picture | |
| thyme oil spain @ 0.22% Data GC Search Trop Picture | |
| thyme oil spain @ 0.36% Data GC Search Trop Picture | |
| trachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.40% Data GC Search Trop Picture | |
| wormseed oil spain @ 0.06% Data GC Search Trop Picture | |
| wormwood oil annus france @ 0.00-0.43% Data GC Search Trop Picture | |
| wormwood oil italy @ 0.2% Data GC Search Trop Picture | |
| yarrow leaf oil @ 10.20% Data GC Search Trop Picture | |
| yarrow oil @ 0.20% Data GC Search Trop Picture | |
| yarrow oil greece @ 0.40% Data GC Search Trop Picture |
Synonyms:
| (1S,4R,5R)-4- | methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol |
| (1alpha,2alpha,5alpha)-2- | methyl-5-(1-methyl ethyl) bicyclo(3.1.0)hexan-2-ol |
| trans- | sabinene hydrate |
| (E)-4- | thujanol |
| trans-4- | thujanol |