1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)- (HCID 16070752)

名称と識別子

優先名称: 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
英語名: 2-(2,4-Dimethylcyclohex-3-ene-1-yl)-5-methyl-5-(1-methylpropyl)-1,3-dioxane
分子式: C17H30O2
分子量: 266.42

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.4
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 19
形式電荷: 0
複雑度: 326

物理化学的性質

沸点: 330 ℃ · 330℃
比重(密度): 0.928 · 0.928
蒸気圧: 16 hPa · 16hPa at 30℃
闪点: 166 ℃ · 166℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
臭い (Odor): 10 %。ドライダスティウッディマホガニーアンバー樹脂のような土っぽいフローラル · ジプロピレングリコール中10.00%。ドライダスティウッディマホガニーアンバー樹脂のような土っぽいフローラル
においのタイプ: 木質の
化粧品成分の機能: 香料
LogP: 5.355 · 5.355 (est)
EPAの化学物質情報: 1 · 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)- (117933-89-8)

化学的性質 · 1 件

化学的特性2-(2,4-DIMETHYLCYCLOHEX-3-ENE-1-YL)-5-METHYL-5-(1-METHYLPROPYL)-1,3-DIOXAN is a colorless liquid with a powerful and radiant, woody, amber odor of high tenacity. It is used to create special effects in fine fragrance perfume oils.Thematerial is prepared by acetalization of 2,4-dimethyl-3-cyclohexene carboxaldehyde with the corresponding diol.The diol may be obtained by a combined Aldol and Cannizzaro reaction of 2,3-dimethylbutanal with formaldehyde. The former may be produced by several steps from 3-methylpentanal or 3-pentanol.

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

法規制情報

Regulatory Information · 4 件

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

安全データ

tsca: TSCA listed

化学と産業

用途と製造

Household Products · 2 件

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

サプライヤー50 社

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]

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

基本情報