Fragrance Demo Formulas |
2-methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]propan-1-ol (Click)
IUPAC Name: 2-methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]propan-1-ol
Std.InChI: InChI=1S/C14H26O2/c1-10(8-15)9-16-12-7-11-5-6-14(12,4)13(11,2)3/h10-12,15H,5-9H2,1-4H3
InChI: InChI=1/C14H26O2/c1-10(8-15)9-16-12-7-11-5-6-14(12,4)13(11,2)3/h10-12,15H,5-9H2,1-4H3
Std.InChIKey: YCOHHRPARVZBHK-UHFFFAOYSA-N
InChIKey: YCOHHRPARVZBHK-UHFFFAOYAM
SMILES: CC(COC1CC2CCC1(C)C2(C)C)CO
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CAS Number: | 128119-70-0 |
ECHA EC Number: | 416-210-4 |
Molecular Weight: | 226.35962000 |
Formula: | C14 H26 O2 |
NMR Predictor: | Predict |
Category: | fragrance agents |
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US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
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US Patents: | Search |
EU Patents: | Search |
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 95.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.96500 to 0.97300 @ 25.00 °C.
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Pounds per Gallon - (est).: | 8.030 to 8.096
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Refractive Index: | 1.47200 to 1.47800 @ 20.00 °C.
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Boiling Point: | 284.00 to 285.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.000334 mm/Hg @ 25.00 °C. (est) |
Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. )
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logP (o/w): | 3.402 (est) |
Organoleptic Properties:
Odor Type: | woody |
Odor Strength: | medium |
Odor Description: at 100.00 %. | warm woody dry amber powdery Luebke, William tgsc, (2007) |
Odor sample from: | International Flavors & Fragrances Inc. |
Substantivity: | 312 Hour(s) |
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Cosmetic Information:
Suppliers:
Azelis |
BORNAFIX
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Creatingperfume.com |
Bornafix (IFF)
Odor: Warm woody, dry amber, cedarwood |
Ernesto Ventós |
BORNAFIX IFF
Odor: WARM,WOODY,DRY,AMBER |
Flowersynth |
1-PROPANOL, 3- 2 BORNYLOXY
Odor: WARM/DRY/AMBER /WOODY Use: EXCELLENT SYNERGIST FOR WOODY / FLORAL & ANY OTHER CREATIONS |
IFF |
BORNAFIX®
Odor: Warm woody, dry amber, cedarwood. For use in woody complexes and provides good support for most florals. Substantive and has very interesting synergistic properties |
Taytonn |
Bornafix®
Odor: Amber/ Ambery, Cedarwood/ Cedar, Woody |
The John D. Walsh Company |
Bornafix
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Safety Information:
European information : |
Most important hazard(s): | Xi - Irritant |
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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.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Human Experience: |
| no sensitization at 10% |
Oral/Parenteral Toxicity: | |
oral-rat LD50 > 2000 mg/kg International Flavors & Fragrances Inc.
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Dermal Toxicity: | |
skin-rabbit LD50 2000 mg/kg International Flavors & Fragrances Inc.
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Inhalation Toxicity: | |
Not determined
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Safety in Use Information:
Category: | fragrance agents |
Recommendation for woody propanol usage levels up to: | | 20.0000 % in the fragrance concentrate.
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Recommendation for woody propanol flavor usage levels up to: | | not for flavor use.
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Safety References:
References:
| 2-methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]propan-1-ol |
NIST Chemistry WebBook: | Search Inchi |
Pubchem (cas): | 128119-70-0 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| bornafix | exo-3-(2- | bornyl oxy)-2-methyl-1-propanol | 2- | methyl-3-((1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl)oxy)-1-propanol | 2- | methyl-3-(1,7,7-trimethyl bicyclohept-2-yl oxy) propanol | 2- | methyl-3-(1,7,7-trimethyl bicyclohept-2-yloxy) propanol | 2- | methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]propan-1-ol | 1- | propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]- | | woody propanol |
Articles:
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Soluble in: |
| alcohol | | water, 108.6 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Stability: |
| acid cleaner | | alcoholic lotion | | antiperspirant | | deo stick | | detergent | | fabric softener | | hard surface cleaner | | shampoo | | soap |
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