1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-

HCID 16070752CAS 117933-89-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCC(C)C1(C)COC(C2CCC(C)=CC2C)OC1
InChIKey
DASQRZJTRKBKPP-UHFFFAOYSA-N
Summenformel
C17H30O2
Durchschnittliche Molmasse
266,4 g/mol
Monoisotopische Masse
266,2245802

Namen und Bezeichner

Bevorzugter 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
Englischer Name
2-(2,4-Dimethylcyclohex-3-ene-1-yl)-5-methyl-5-(1-methylpropyl)-1,3-dioxane
Summenformel
C17H30O2
Molmasse
266.42

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
117933-89-8
PubChem CID
16070752
DTXSID
DTXSID3051595
EC Number
601-499-3
Nikkaji
J2.501.804D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
18,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
19

Physikochemische Eigenschaften

Siedepunkt
330 ℃ · 330℃
Dichte
0.928 · 0.928
Dampfdruck
16 hPa · 16hPa at 30℃
Flammpunkt
166 ℃ · 166℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Geruch (Odor)
10 % · at 10.00 % in dipropylene glycol. dry dusty woody mahogany amber resinous earthy floral

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

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

Sicherheitsdaten

tsca
TSCA listed

Chemie und Industrie

Verwendung und Herstellung

Household Products · 2 Einträge

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

Anbieter50 Anbieter

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]

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