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Notes:
Blends and lifts other notes.
| (2,3-dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol (Click)
IUPAC Name: (2,3-dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol
Std.InChI: InChI=1S/C13H20O/c1-8(2)13-6-11(5-12(13)7-14)9(3)10(13)4/h11-12,14H,1,5-7H2,2-4H3
InChI: InChI=1/C13H20O/c1-8(2)13-6-11(5-12(13)7-14)9(3)10(13)4/h11-12,14H,1,5-7H2,2-4H3
Std.InChIKey: MLDAJXVVSUEALX-UHFFFAOYSA-N
InChIKey: MLDAJXVVSUEALX-UHFFFAOYAN
SMILES: CC1=C(C2(CC1CC2CO)C(=C)C)C
| |
| CAS Number: | 110458-85-0 |
| XlogP3: | 2.50 (est) |
| Molecular Weight: | 192.30160000 |
| Formula: | C13 H20 O |
| NMR Predictor: | Predict |
| 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 |
| IBM Patents: | Obtain |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97800 to 0.98700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.138 to 8.213 |
| Refractive Index: | 1.50800 to 1.51500 @ 20.00 °C. |
| Boiling Point: | 120.00 °C. @ 5.00 mm Hg |
| Vapor Pressure: | 0.002000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 3.580 |
Organoleptic Properties:
| Odor Type: | woody |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | fresh woody ozone clean outdoor |
| Substantivity: | 156 Hour(s) |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| European information : | |||
| Most important hazard(s): | |||
| Xi - Irritant | |||
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |||
| 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: | fragrance agents | ||
| Recommendation for woody heptene usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Recommendation for woody heptene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 110458-85-0 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (2,3-dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol | |
| Chemidplus: | 0110458850 |
References:
| (2,3-dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 86114 |
| Pubchem (sid): | 135042262 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| clean | ||
| fixer | ||
| fresh & clean | FR | |
| outdoors fresh | FR | |
| ozone | ||
| woody | FR |
Natural Occurrence in: note
| not found in nature |
Synonyms:
| arbozol | |||
| bicyclo(2.2.1)hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)- | |||
| bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)- | |||
| 5,6- | dimethyl-(-1-methyl ethenyl) bicyclo(2.2.1)hept-5-ene-2-methanol | ||
| 5,6- | dimethyl-(1-methylethenyl)bicyclo(2.2.1)hept-5-ene-2-methanol | ||
| [5,6- | dimethyl-1-(prop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-yl]methanol | ||
| (2,3- | dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol |
click on the picture(s) below to interact with the 3D model | |
| |
| Soluble in: | |
| alcohol | |
| water, 36.13 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |