Fragrance Demo Formulas |
(4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (Click)
IUPAC Name: (4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Std.InChI: InChI=1S/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3/b7-5-,10-8-
InChI: InChI=1/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3/b7-5-,10-8-
Std.InChIKey: PUXIGTZUWRBNMW-RRMOSLQNSA-N
InChIKey: PUXIGTZUWRBNMW-RRMOSLQNBJ
SMILES: CC1(C/C=C\CC/C=C\CCC2C1(O2)C)C
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CAS Number: | 71735-79-0 |
ECHA EC Number: | 275-967-7 |
XlogP3-AA: | 4.20 (est) |
Molecular Weight: | 220.35548000 |
Formula: | C15 H24 O |
NMR Predictor: | Predict |
Also(can) Contains: | (E)-woody epoxide |
Category: | fragrance agents |
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Physical Properties:
Appearance: | pale yellow to yellow clear oily liquid (est) |
Assay: | 96.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.96900 to 0.97900 @ 20.00 °C.
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Pounds per Gallon - (est).: | 8.072 to 8.156
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Refractive Index: | 1.50400 to 1.50800 @ 20.00 °C.
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Boiling Point: | 289.00 to 290.00 °C. @ 760.00 mm Hg
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Acid Value: | 1.00 max. KOH/g
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Vapor Pressure: | 0.004000 mm/Hg @ 25.00 °C. (est) |
Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. )
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logP (o/w): | 4.647 (est) |
Organoleptic Properties:
Odor Type: | woody |
Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | sweet dry woody powdery amber cedar patchouli sandalwood Luebke, William tgsc, (1986) |
Odor sample from: | Firmenich Inc. |
Substantivity: | 268 hour(s) at 100.00 % |
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Cosmetic Information:
Suppliers:
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. |
Oral/Parenteral Toxicity: | |
Not determined
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Dermal Toxicity: | |
Not determined
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Inhalation Toxicity: | |
Not determined
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Safety in Use Information:
Category: | fragrance agents |
Recommendation for woody epoxide usage levels up to: | | 5.0000 % in the fragrance concentrate.
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Recommendation for woody epoxide flavor usage levels up to: | | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
13-oxa | bicyclo(10.1.0)trideca-4,8-diene, trimethyl- | 13-oxa | bicyclo[10.1.0]trideca-4,8-diene, 1,2,2-trimethyl-, (4Z,8Z)- | | cedroxide | | cedroxyde | | trimethyl cyclodecatrine epoxide | | trimethyl cyclododeca-5,9-diene-1,2-epoxide | | trimethyl oxabicyclotridecadiene | | trimethyl-13-oxabicyclo(10.1.0)trideca-4,8-diene | | trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene | (4Z,8Z)-1,2,2- | trimethyl-13-oxabicyclo(10.1.0)trideca-4,8-diene | (4Z,8Z)-1,2,2- | trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene | | trimethylcyclododeca-5,9-diene-1,2-epoxide | | trimethyloxabicyclotridecadiene | | woody epoxide |
Articles:
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Soluble in: |
| alcohol | | water, 0.6874 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
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