4-メチル-3-デセン-5-オール

4-Methyl-3-decen-5-ol

HCID 163336

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 81782-77-6
標準SMILES: CCC=C(C)C(O)CCCCC
InChIKey: WSTQLNQRVZNEDV-UHFFFAOYSA-N
分子式: C11H22O
平均分子量: 170.29 g/mol
単同位体質量: 170.16706532

概要

a fragrance ingredient; structure in first source

名称と識別子

優先名称: 4-Methyl-3-decen-5-ol
IUPAC: 4-methyldec-3-en-5-ol
現地名: 4-メチル-3-デセン-5-オール
英語名: 4-Methyl-3-decen-5-ol
分子式: C11H22O
分子量: 170.29

名称と別名

4-Methyl-3-decen-5-ol3-Decen-5-ol, 4-methyl-DTXSID8052560RefChem:912670DTXCID5031133279-815-081782-77-64-methyl-3-decene-5-olSCHEMBL112320SCHEMBL28671445DB-0757914-メチル-3-デセン-5-オール

名称をさらに表示

4-メチルデカ-3-エン-5-オールメチルデセノールUNDECAVERTOL4-Methyldec-3-en-5-olFIGOVERTviolet decenolUNII:5S5I61TY7PUndecavertol 94499034-methyl-3-decen-5-o(E)-4-methyl-3-decen-5-ol

データベース識別子

CAS: 81782-77-6
PubChem CID: 163336
DTXSID: DTXSID8052560
EC Number: 279-815-0

物性

構造計算による物性

XLogP: 3.8
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 6
重原子数: 12
形式電荷: 0
複雑度: 127

実験および物理化学的性質

FragrancesFragrance Ingredient (4-Methyl-3-decen-5-ol) -> IFRA transparency List

Physical DescriptionDry Powder; Liquid; Liquid; CBI

物理化学的性質

沸点: 232.9 · 232.9±8.0 °C(Predicted)
比重(密度): 0.845 · 0.845±0.06 g/cm3(Predicted)
蒸気圧: 1.1 Pa · 1.1Pa at 20℃
酸解離定数(Pka): 14.93 · 14.93±0.20(Predicted)
臭い (Odor): 100 %。緑、油っぽい、紫色のユリ、種っぽいフルーティーなキウイ · ジプロピレングリコール中100.00%。緑、油っぽい、紫色のユリ、種っぽいフルーティーなキウイ
においのタイプ: 緑
水溶解度: 63 mg/L · 63mg/L at 20℃
化粧品成分の機能: 香料スキンコンディショニング香料
LogP: 3.9 · 3.9
EPAの化学物質情報: 3 · 3-Decen-5-ol, 4-methyl- (81782-77-6)

化学的性質 · 1 件

化学的特性4-Methyl-3-decen-5-ol is a colorless to pale yellow liquid with a powerful, rich, fresh, green, floral, violet-leaf-like odor. It is used in modern perfume oils as a substitute for the methyl alkynoates and is found in perfume oils for nearly all applications. 4-Methyl-3-decen-5-ol is prepared by Grignard reaction of pentylmagnesium bromide and 2-methyl-2-pentenal.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 10.7% (191 of 1777) of reports.

Warning

H400 (89.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1777 reports by companies from 9 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: 3-Decen-5-ol, 4-methyl-

3-Decen-5-ol, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Decen-5-ol, 4-methyl- 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.

Status: Active Update: 28-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12744

3-Decen-5-ol, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Acute 1 (89.1%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

U.S. Production2023: 8,500,000 - <10,000,000 lb

Consumer UsesOther

Industry UsesFragrance

Household ProductsInformation on 64 consumer products that contain 4-Methyl-3-Decen-5-Ol in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

3-Decen-5-ol, 4-methyl-: ACTIVE

サプライヤー73 社

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

绍兴久孚新材料科技有限公司0575-87095566 18067860628 · [email protected]

補足説明

定義本品は、次の化学式で表される有機化合物である。

化合物ノート

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