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| IUPAC name : | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| 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 |
| InChIKey : | DNRJTBAOUJJKDY-UHFFFAOYAK |
| SMILES : | CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C |
| cas number : | 1506-02-1 |
| (EINECS) number : | 216-133-4 |
| molar refractivity : | 81.24 ± 0.3 cm3 |
| parachor : | 661.7 ± 4.0 cm3 |
| index of refraction : | 1.490 ± 0.02 |
| surface tension : | 30.8 ± 3.0 dyne/cm |
| density : | 0.919 ± 0.06 g/cm3 |
| polarizability : | 32.20 ± 0.5 10-24cm3 |
| XlogP : | 6.10 |
| XlogP3-AA : | 5.30 |
| molecular weight : | 258.3984400 (IUPAC) |
| formula : | C18 H26 O |
| NMR Predictor : | Predict |
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| IUPAC name : | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| 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 |
| InChIKey : | DNRJTBAOUJJKDY-UHFFFAOYAK |
| SMILES : | CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C |
| cas number : | 21145-77-7 |
| (EINECS) number : | 244-240-6 |
| molar refractivity : | 81.24 ± 0.3 cm3 |
| parachor : | 661.7 ± 4.0 cm3 |
| index of refraction : | 1.490 ± 0.02 |
| surface tension : | 30.8 ± 3.0 dyne/cm |
| density : | 0.919 ± 0.06 g/cm3 |
| polarizability : | 32.20 ± 0.5 10-24cm3 |
| XlogP : | 6.10 |
| XlogP3-AA : | 5.30 |
| molecular weight : | 258.3984400 (IUPAC) |
| formula : | C18 H26 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.39.0000 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Tonalid™
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| John D. Walsh : | Tetralide
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| Moellhausen : | fixolide
98% min. nature identical kosher |
| PFW : | TONALID® II
≥97% |
| Vigon : | Fixolide
Odor: MUSKY, WARM, POWDERY |
organoleptics :
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| odor type : | musk |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in isopropyl myristate. | strong sweet amber fruity musk powdery |
| odor sample from : | Givaudan Corporation |
| substantivity : | > 400 hour(s) at 10.00 % in dipropylene glycol |
properties :
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| appearence : | white crystalline solid |
| assay : | 97.00 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 : | 0.06800 mm/Hg @ 25.00 °C. |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 6.37 |
| 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. |
safety :
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| most important hazard(s) : | Xn N - Harmful, Dangerous for the environment. |
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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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| Oral Toxicity(LD50) : | | |
Oral-Rat 964.00 mg/kg
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| Dermal Toxicity(LD50) : | | |
Skin-Rabbit 7940.00 mg/kg
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| recommendation for musk tetralin usage levels up to : | | | 10.0000 % in the fragrance concentrate.
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| recommendation for musk tetralin usage levels up to : | | | not for flavor use.
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safety references :
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| msds : | msds |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 3 |
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| | | |
| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
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| (EINECS) number : | 216-133-4 |
| chemidplus : | 001506021 |
| EPA Substance Registry Services : | 1506-02-1 |
| dtp/nci : | 19550 |
| | | |
| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
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| (EINECS) number : | 244-240-6 |
| chemidplus : | 021145777 |
| EPA Substance Registry Services : | 21145-77-7 |
references :
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| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
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| NIST Chemistry WebBook : | 1248632648 |
| pubchem : | 668261 |
| | 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
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| pubchem : | 666216 |
Cosmetics :
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| Cosmetic uses : |
masking agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |
| | C of A |
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synonyms :
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| | acetyl hexamethyl tetralin | | 6- | acetyl-1,1,2,4,4,7-hexamethyl tetralin | | 7- | acetyl-1,1,3,4,4,6-hexamethyl tetrahydronaphthalene | | 7- | acetyl-1,1,3,4,4,6-hexamethyl tetralin | | 6- | acetyl-1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethyl naphthalene | | | fixolide | | 1-(3,5,5,6,8,8- | hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone | | | INCI acetyl hexamethyl tetralin | | | musk tonalid | | 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 | | | tonalide |
soluble in :
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| | alcohol | | | dipropylene glycol | | | water, 1.25 mg/L @ 25C |
insoluble in :
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| | water |
stability :
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| | detergent | | | soap |
(odor and/or flavor) blends with :
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| | allyl amyl glycolate |
| | amber carbinol |
| | ambrette seed oil |
| | ambroxan |
| iso | amyl benzoate |
| alpha- | amyl cinnamaldehyde |
| iso | amyl salicylate |
| | amyris wood oil |
| | angelica root oil |
| | animal carbolactone |
| para- | anisyl alcohol |
| | benzoin resinoid |
| | benzyl salicylate |
| | bois de rose oil |
| iso | butyl cinnamate |
| | carrot seed oil |
| | cassia bark oil |
| | cedarwood oils |
| | cinnamyl alcohol |
| | cistus oil |
| | citronellol |
| | clary sage oil |
| | clover nitrile |
| | coriander seed oil |
| | costus valerolactone |
| | coumarin |
| para- | cresyl phenyl acetate |
| | cyclamen aldehyde |
| | decanol |
| 9- | decen-1-ol |
| | decyl acetate |
| | dimethyl benzyl carbinol |
| | dodecanal |
| | dodecanol |
| | ethyl cinnamate |
| | ethyl laurate |
| | ethyl maltol |
| | ethyl vanillin |
| iso | eugenyl acetate |
| | fir balsam absolute |
| | floral pyranol |
| | frankincense oil |
| | guaiacwood oil |
| | gurjun balsam oil |
| | hay absolute |
| | heliotropin |
| | heliotropyl acetone |
| | heliotropyl diethyl acetal |
| gamma- | heptalactone |
| gamma- | hexalactone |
| (Z)-3- | hexen-1-yl salicylate |
| alpha- | hexyl cinnamaldehyde |
| | ho leaf oil |
| | hyacinth ether |
| | hydroxycitronellal |
| | indole |
| | ionones |
| | labdanum resinoid |
| laevo- | linalool |
| | linalool oxide |
| | marine pyridine |
| | methyl acetophenone |
| | methyl cedryl ketone |
| alpha- | methyl cinnamaldehyde |
| | methyl cinnamate |
| | methyl dihydrojasmonate |
| | methyl ionones |
| | methyl isoeugenol |
| | muguet carboxaldehyde |
| | muguet octadienol |
| | musks |
| | myrrh oil |
| beta- | naphthyl ethyl ether |
| | nerolidol |
| | oakmoss absolute |
| | ocean propanal |
| gamma- | octalactone |
| | orris pyridine |
| | patchouli ethanone |
| | patchouli oil |
| | pepper oil black |
| | phenethyl alcohol |
| | phenethyl phenyl acetate |
| 3- | phenyl propyl alcohol |
| | raspberry ketone |
| | raspberry ketone acetate |
| | raspberry ketone methyl ether |
| | rhodinol |
| | santall |
| | tobacco dodecane |
| | tonka bean absolute |
| gamma- | undecalactone |
| | undecanol |
| | vanilla absolute |
| | vanillyl acetate |
| | verymoss |
| | vetiver oil |
| | watermelon ketone |
| | woody acetate |
| | woody amylene |
| | woody propanol |
(odor and/or flavor) used in :
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| | acacia | | | allspice | | | ambergris | | | ambrette | | | amyris | | | angelica | | | animal | | | burberry | | | cabreuva | | | cassia | | | cassia blossom | | | cassie acacia farnesiana | | | cedar forest | | | christmas blends | | | cloth clean cloths | | | clove blossom | | | cyclamen | | | dusty | | | fantasy blends | | | fern fougere | | | fir balsam | | | fir needle | | | flouve blossom | | | foliage | | | forest | | | frangipanni plumeria | | | ginger white ginger | | | grass sweet grass | | | guaiacwood | | | habuba | | | hawthorn | | | heather | | | heliotrope | | | hollyberry | | | hugonia | | | incense | | | iris blossom | | | kewda | | | lavender | | | leather | | | lemon | | | lily | | | magnolia | | | maja | | | meadow | | | moss | | | muguet lily of the valley | | | musk | | | new car | | | oakwood | | | ocean sea | | | petunia | | | phlox | | | powder | | | rain | | | rose white rose | | | sandalwood | | | spice | | | spicewood | | | tobacco tabac tabaco | | | tonka | | | vanilla | | | verbena verveine | | | woodruff asperula | | | woody |
natural occurrence in :
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| not found in nature |
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