Basic information
- CAS
117933-89-8- Standard SMILES
CCC(C)C1(C)COC(C2CCC(C)=CC2C)OC1- InChIKey
DASQRZJTRKBKPP-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
- IUPAC
- 5-butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
- English name
- 2-(2,4-Dimethylcyclohex-3-ene-1-yl)-5-methyl-5-(1-methylpropyl)-1,3-dioxane
- Molecular formula
- C17H30O2
- Molecular weight
- 266.42
Names & synonyms
117933-89-82-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-1,3-dioxane1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-RefChem:414738DTXSID201029495186309-28-4601-499-35-(sec-butyl)-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane2-(2,4-DIMETHYLCYCLOHEX-3-ENE-1-YL)-5-METHYL-5-(1-METHYLPROPYL)-1,3-DIOXANEMFCD018608515-butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxaneAmber Dioxane
Show more names
KARANALKaranal 1380473Karanal in Iso-octaneAmber dioxane isomer mixtureAmber dioxane isomer mixture in isooctane5-sec-Butyl-2-(2,4-dimethyl-3-cyclohexenyl)-5-methyl-1,3-dioxane2-(2,4-DIMETHYLCYCLOHEX-3-EN-1-YL)-5-METHYL-5-(BUT-2-YL)-1,3-DIOXANE
SCHEMBL112853DTXSID3051595SEA93389MSK3321-100M5-(butan-2-yl)-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxaneMSK3321-1000MKaranal Solution in Methanol, 100ug/mLKaranal Solution in Methanol, 1000ug/mL
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 330 ℃ · 330℃
- Density
- 0.928 · 0.928
- vapor pressure
- 16 hPa · 16hPa at 30℃
- Flash point
- 166 ℃ · 166℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Odor
- 10 % · at 10.00 % in dipropylene glycol. dry dusty woody mahogany amber resinous earthy floral
- Odor Type
- woody
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 5.355 · 5.355 (est)
- Substances of Very High Concern (SVHC) Candidate List
- 1 · 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)- (117933-89-8)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)- (117933-89-8)
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
Safety & regulation
GHS classification
GHS Classification
Warning
H373 (75.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H400 (96.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (99.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 163 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - EC PBTs；Report - if used as a fragrance or flavor ingredient
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27709
Hazard Classes and CategoriesSTOT RE 2 (75.5%)；Aquatic Acute 1 (96.3%)；Aquatic Chronic 1 (99.4%)
Regulatory information
Regulatory Information
Chemical: 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - EC PBTs；Report - if used as a fragrance or flavor ingredient
Chemistry & industry
Uses & manufacturing
Household Products
Cosmetics product ingredient: 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-；Product count: 20
Information on 2 consumer products that contain 2-Dimethylcyclohexenyl-5-Methyl-5-Methylpropyl-1,3-Dioxane in the following categories is provided:；• Inside the Home
Use ClassificationFragrance Ingredients
General Manufacturing Information1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-: ACTIVE
Suppliers87 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
苏州市森菲达化工有限公司
Related reactions
1 records
Compound notes
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