| Fragrance Demo Formulas |
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone (Click)
IUPAC Name: 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
Std.InChI: InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChI: InChI=1/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
Std.InChIKey: DNRJTBAOUJJKDY-UHFFFAOYSA-N
InChIKey: DNRJTBAOUJJKDY-UHFFFAOYAK
SMILES: CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
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| CAS Number: | 1506-02-1 |
| ECHA EINECS - REACH Pre-Reg: | 216-133-4 |
| XlogP3-AA: | 5.30 (est) |
| Molecular Weight: | 258.40442000 |
| Formula: | C18 H26 O |
| NMR Predictor: | Predict |
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone (Click)
IUPAC Name: 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
Std.InChI: InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChI: InChI=1/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
Std.InChIKey: DNRJTBAOUJJKDY-UHFFFAOYSA-N
InChIKey: DNRJTBAOUJJKDY-UHFFFAOYAK
SMILES: CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
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| CAS Number: | 21145-77-7 131433-13-1 |
| ECHA EINECS - REACH Pre-Reg: | 244-240-6 |
| FDA UNII: | 360Q8Z01IP |
| XlogP3-AA: | 5.30 (est) |
| Molecular Weight: | 258.40442000 |
| Formula: | C18 H26 O |
| NMR Predictor: | Predict |
| Category: | fragrance agents |
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| 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: | white crystalline solid (est) |
| Assay: | 95.00 to 100.00 %
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| Food Chemicals Codex Listed: | No |
| Melting Point: | 53.00 to 54.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 393.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.000028 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w): | 5.063 (est) |
| Shelf Life: | 36.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
Organoleptic Properties:
| Odor Type: | musk |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| | sweet amber fruity musk powdery |
Odor Description: at 10.00 % in isopropyl myristate. | strong sweet amber fruity musk powdery Luebke, William tgsc, (1985) |
| Substantivity: | > 400 hour(s) at 10.00 % in dipropylene glycol |
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Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xn N - Harmful, Dangerous for the environment. |
R 22 - Harmful if swallowed. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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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) |
Acute toxicity, Oral (Category 4), H302 Acute aquatic toxicity (Category 1), H400 Chronic aquatic toxicity (Category 1), H410
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| GHS Label elements, including precautionary statements |
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| Pictogram |   |
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| Signal word | Warning |
| Hazard statement(s) |
H302 - Harmful if swallowed H400 - Very toxic to aquatic life H410 - Very toxic to aquatic life with long lasting effects
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| Precautionary statement(s) |
P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P273 - Avoid release to the environment. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
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| Oral/Parenteral Toxicity: |
oral-rat LD50 964 mg/kg Dispose of contents/container in accordance with local/regional/national/international regulations.
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| Dermal Toxicity: |
skin-rabbit LD50 7940 mg/kg Dispose of contents/container in accordance with local/regional/national/international regulations.
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | fragrance agents |
| Recommendation for musk tetralin usage levels up to: | | | 10.0000 % in the fragrance concentrate.
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| Recommendation for musk tetralin flavor usage levels up to: |
| | not for flavor use.
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Safety References:
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| ECHA Data Sheet: | View |
| ECHA (ESR): | View |
| Chemical Carcinogenesis Research Information System: | Search |
| Env. Mutagen Info. Center: | Search |
| NLM Developmental and Reproductive Toxicity: | Search |
| EPA Substance Registry Services (TSCA): | 1506-02-1 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| WGK Germany: | 3 |
| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| DTP/NCI: | 19550 |
| Chemidplus: | 0001506021 |
| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| Chemidplus: | 021145777 |
References:
| Leffingwell: | chirality |
| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1506-02-1 |
| Pubchem (cid): | 89440 |
| Pubchem (sid): | 135049163 |
| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 21145-77-7 |
| Pubchem (sid): | 135045107 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| 2'- | acetonaphthone, 5',6', 7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl- | | 2'- | acetonaphthone, 5',6',7',8'-tetrahydro-3',5',5',6',8',8'-hexamethyl- | | | acetyl hexamethyl tetralin | | 6- | acetyl-1,1,2,4,4,7-hexamethyl tetralin | | 6- | acetyl-1,1,2,4,4,7-hexamethyl-1,2,3,4-tetrahydronaphthalene | | 6- | acetyl-1,1,2,4,4,7-hexamethyltetralin | | 7- | acetyl-1,1,3,4,4,6-hexamethyl tetrahydronaphthalene | | 7- | acetyl-1,1,3,4,4,6-hexamethyl tetralin | | 7- | acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene | | 7- | acetyl-1,1,3,4,4,6-hexamethyltetrahydronaphthalene | | 7- | acetyl-1,1,3,4,4,6-hexamethyltetralin | | 6- | acetyl-1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethyl naphthalene | | 6- | acetyl-1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethylnaphthalene | | | AHMT | | | ethanone, 1- (5,6,7,8-tetrahydro-3,5,5,6,8, 8-hexamethyl-2-naphthalenyl)- | | | ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- | | | fixolide | | 1-(3,5,5,6,8,8- | hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethanone | | 1-(3,5,5,6,8,8- | hexamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone | | 1-(3,5,5,6,8,8- | hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone | | 1-(3,5,5,6,8,8- | hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone | | | INCI acetyl hexamethyl tetralin | | | muscofix | | | musk tetralin | | | musk tonalid | | | naphthalene, 7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydro- | | 1-(5,6,7,8- | tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethan- one | | 1-(5,6,7,8- | tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl) ethan-1-one | | 1-(5,6,7,8- | tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one | | 5',6',7',8'- | tetrahydro-3',5',5',6',8',8'-hexamethyl-2'-acetonaphthone | | | tetralide | | | tonalid | | | tonalid II | | | tonalide |
Articles:
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| Soluble in: |
| | alcohol | | | dipropylene glycol | | | water, 0.2879 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
| Stability: |
| | detergent | | | soap |
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