CAS 5333-42-6 2-Octyldodecanol (HCID 21414)

名称と識別子

優先名称: 2-Octyldodecanol
IUPAC: 2-octyldodecan-1-ol
現地名: 2-オクチルドデカン-1-オール
英語名: 2-Octyl-1-dodecanol
分子式: C20H42O
分子量: 298.55

名称と別名

2-Octyl-1-dodecanol5333-42-6Octyldodecanol2-Octyldodecanol1-DODECANOL, 2-OCTYL-2-Octyldodecyl alcoholOctyl dodecanolDTXSID3036288NSC-2405461N1O614YDTXCID1016288RefChem:167911

名称をさらに表示

2-オクチルドデカン-1-オール2-オクチル-1-ドデカノール2-オクチルドデシルアルコールオイタノールGオクチルドデカノール2-n-オクチル-1-ドデカノール2-オクタン-1-イルドデカン-1-オール2-オクチルドデカノール2-OctyLOctyidodecanolexxal20BASF ODeutanolgGuerbet20rilanitg209-Icosanol

226-242-92-Octyldodecan-1-olStandamul GIsofol 202-Octyl dodecanolKalcohl 200GRilanit G 20Exxal 20

データベース識別子

CAS: 5333-42-6
PubChem CID: 21414
DTXSID: DTXSID3036288
ChEMBL: CHEMBL1572050
UNII: 461N1O614Y
EC Number: 226-242-9
Nikkaji: J149.440F

物性

構造計算による物性

XLogP: 9.2
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: 17
重原子数: 21
形式電荷: 0
複雑度: 179

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: 1 · −1-1 °C(lit.)
沸点: 234 · 234-238 °C/33 mmHg(lit.)
比重(密度): 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
蒸気圧: 0.1 Pa · 0.1Pa at 148.85℃
屈折率: 20 · n20/D 1.453(lit.)
闪点: 113 °C · 113 °C
貯蔵温度: 2 · 2-8°C
溶解性: 水にほとんど溶けず、エタノールと混和します (96%)。
酸解離定数(Pka): 15.03 · 15.03±0.10(Predicted)
外見: Liquid
色: 無色
水溶解度: 10 μg/L · 10μg/L at 23℃
化粧品成分の機能: 香料香料溶媒皮膚コンディショニング剤 - 保湿剤
InChI: 1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKey: LEACJMVNYZDSKR-UHFFFAOYSA-N
SMILES: CCCCCCCCCCC(CO)CCCCCCCC
LogP: 8.63 at · 8.63 at 20℃
EPAの化学物質情報: 2 · 2-Octyldodecanol (5333-42-6)

化学的性質

化学的特性2-Octyl-1-dodecanol is clear, colourless or yellowish, oily liquid.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 93.7% (373 of 398) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 373 of 398 companies (only 6.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 398 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 373 of 398 reports by companies.；There are 3 notifications provided by 25 of 398 reports by companies with hazard statement code(s).；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-Dodecanol, 2-octyl-

1-Dodecanol, 2-octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanol, 2-octyl- 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)

Status: Active Update: 10-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5814

1-Dodecanol, 2-octyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

毒性情報

Toxicity Summary · 2 件

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

法規制情報

Regulatory Information · 4 件

Chemical: 1-Dodecanol, 2-octyl-

1-Dodecanol, 2-octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanol, 2-octyl- 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)

Status: Active Update: 10-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5814

1-Dodecanol, 2-octyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: nwg
tsca: TSCA listed
rtecs: JR4240000
毒性: skn-rat 100 mg/24H MOD CTOIDG 94(8),41,79
hs_code: 2905199095
risk_code: 36/37/38
化審法: (2)-217
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Uses · 2 件

CIR ingredient: Octyl Dodecanol

CIR ingredient: Octyldodecanol

U.S. Production2023: 3,736,006 lb；2022: 1,000,000 - <5,000,000 lb；2021: 5,000,000 - <10,000,000 lb；2020: 1,000,000 - <2,500,000 lb

Consumer UsesLubricating agent；Other；UV stabilizer；Not Known or Reasonably Ascertainable；Viscosity modifiers；Emulsifier；Defoamer

Industry UsesViscosity modifiers；Not Known or Reasonably Ascertainable；Defoamer；Solvent；Lubricating agent；Other；UV stabilizer

Household ProductsInformation on 33 consumer products that contain Octyldodecanol in the following categories is provided:；• Personal Care

Use Classification · 2 件

Fragrance Ingredients

Cosmetics -> Solvent; Emollient

応用分野 · 3 件

用途トリートメント / コンディショナー,クレンジング,化粧水 / 乳液 / クリーム,ファンデーション / 下地,口紅 / グロス,アウトバスヘアケア,UVケア

使用2-Octyl-1-dodecanol have been used as a emulsion stabilizer for polymer matrix patches.

一般的な説明Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

調製方法

2-Octyl-1-dodecanol is produced by the condensation of two molecules of decyl alcohol. It also occurs naturally in small quantities in plants.

上流・下流製品情報

上流原料

デカナールトリメチルアルミニウム 1-ヘキサノール 1-デカノール

下流製品

2-ブチル-1-オクタノール 2-n-オクチル-1-ドデシルアミン 2-エチル-1-デカノール 2-ヘキシル-1-デカノール 2-オクチル-1-ドデカノールアセタート 2-Bromo-5-(2-octyldodecyl)thiophene 9-(ブロモメチル)ノナデカン

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

補足説明

定義本品は、次の化学式で表される脂肪族アルコールである。

化合物ノート

読み込み中…

2-オクチルドデカン-1-オール

基本情報