1-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, 1-propanoate
基本情報
- CAS
141773-73-1- 標準SMILES
CCC(=O)OCC(C)(C)OC(C)C1CCCC(C)(C)C1- InChIKey
LSTSBZKIQFOPHA-UHFFFAOYSA-N- 分子式
- C17H32O3
- 平均分子量
- 284.4 g/mol
- 単同位体質量
- 284.23514488
名称と識別子
- 優先名称
- 1-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, 1-propanoate
- IUPAC
- [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] propanoate
- 英語名
- musk propanoate
- 分子式
- C17H32O3
- 分子量
- 284.43
名称と別名
141773-73-1HELVETOLIDE1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoateDimethylcyclohexylethoxy isobutylpropanoateUNII-I1AI9W9CABI1AI9W9CABDTXSID7051341EC 415-490-5EC 604-250-71-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, 1-propanoate1-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, propanoate1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, propanoate
名称をさらに表示
1-propanol,2-[1-(3,3-dimethyl-cyclohexyl)ethoxy]-2-methyl-,propamusk propanoateHELVETOLIDE 9476501-propanol,2-[1-(3,3Helvetolide (Musk propanoate)2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl propionate2-(1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy)-2-methyl propyl p...
RefChem:77143DTXCID8029943DIMETHYLCYCLOHEXYLETHOXY ISOBUTYLPROPANOATE [INCI](2-(1-(3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-PROPYL) PROPANOATE604-250-7[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] propanoateSCHEMBL238099LSTSBZKIQFOPHA-UHFFFAOYSA-N
データベース識別子
- CAS
141773-73-1- PubChem CID
- 16063567
- DTXSID
DTXSID7051341- EC Number
- 415-490-5、604-250-7
- Nikkaji
- J3.781.585C
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 320
実験および物理化学的性質
FragrancesFragrance Ingredient (2-(1-(3',3'-Dimethyl-1'-cyclohexyl)ethoxy)-2-methyl propyl propanoate) -> IFRA transparency List
Physical DescriptionLiquid; CBI
物理化学的性質
- 沸点
- 346.3 · 346.3±15.0 °C(Predicted)
- 比重(密度)
- 0.929 · 0.929±0.06 g/cm3(Predicted)
- 蒸気圧
- 17.2 Pa · 17.2Pa at 20℃
- 臭い (Odor)
- 100 %で。ムスク · 100.00%で。ムスク アンブレット フルーティ ペアー ウッディ フローラル
- においのタイプ
- ムスク
- 水溶解度
- 4.7 mg/L · 4.7mg/L at 20℃
- 化粧品成分の機能
- 香料
- LogP
- 4.68 at · 4.68 at 22.5℃
- EPAの化学物質情報
- 1 · 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, propanoate (141773-73-1)
化学的性質
化学的特性musk propanoate is colorless liquid displaying a fruity, pear-like musky note. The material can be produced by reaction of ,3,3-trimethylcyclohexane-1- methanol with isobutylene oxide and subsequent esterification with propanoic acid. It is used as a top-note musk particularly in alcoholic perfumes and fragrances for liquid personal care products.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1608 reports by companies from 3 notifications to the ECHA C&L Inventory.
Warning
危険有害性情報
Regulatory Information
Chemical: 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate
1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-(1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy)-2-methyl propyl propanoate (EC: 415-490-5)
1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Skin Irrit. 2 (17.2%)
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
安全データ
- tsca
- TSCA listed
- risk_code
- 51/53
化学と産業
用途と製造
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 11 consumer products that contain Dimethylcyclohexylethoxy isobutylpropanoate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate: ACTIVE
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