Isotridecan-1-ol (HCID 33865)

名称と識別子

優先名称: Isotridecan-1-ol
IUPAC: 11-methyldodecan-1-ol
現地名: 11-メチルドデカノール
英語名: 11-methyldodecanol
分子式: C13H28O
分子量: 200.36

名称と別名

Isotridecan-1-olRefChem:15006811-MethyldodecanolIsotridecanol11-methyldodecan-1-olISOTRIDECYL ALCOHOL85763-57-127458-92-0Iso-Tridecyl-alcohol11-Methyl-1-dodecanolIsotridecanol-VX3T72M5SG

名称をさらに表示

11-メチルドデカノール11-メチルドデシルアルコール

Alcohols, C11-14-isoalcohols, C13-rich11-Methyl-1-dodecanol;1-Dodecanol, 11-methyl-FIXATEUR ITCEINECS 248-469-2UNII-VX3T72M5SGEINECS 288-581-9EC 248-469-2

データベース識別子

CAS: 27458-92-0、68526-86-3、85763-57-1
PubChem CID: 33865
DTXSID: DTXSID7058676
ChEBI: CHEBI:77438
UNII: VX3T72M5SG
EC Number: 248-469-2、288-581-9
Nikkaji: J94.650H

物性

構造計算による物性

XLogP: 5.4
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: 10
重原子数: 14
形式電荷: 0
複雑度: 99

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

沸点: 86 · 86-88 °C(Press: 0.2 Torr)
比重(密度): 0.831 · 0.831±0.06 g/cm3(Predicted)
貯蔵温度: Room Temperature, under inert atmosphere
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 15.2 · 15.20±0.10(Predicted)
外見: 個体
色: 白からオフホワイトへ
LogP: 5.47 · 5.470 (est)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 3.5% (178 of 5060) of reports.

Warning

H315 (87.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H400 (95.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (92.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5060 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 178 of 5060 reports by companies.；There are 14 notifications provided by 4882 of 5060 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: Isotridecanol

Isotridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isotridecanol 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: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2154

Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (87.6%)；Aquatic Acute 1 (95.3%)；Aquatic Chronic 1 (92.1%)

法規制情報

Regulatory Information · 4 件

Chemical: Isotridecanol

Isotridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isotridecanol 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: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2154

Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

用途と製造

U.S. Production2023: 5,000,000 - <10,000,000 lb；2022: 5,000,000 - <10,000,000 lb；2021: 5,000,000 - <10,000,000 lb；2020: 5,000,000 - <10,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesSurfactant (surface active agent)；Lubricating agent；Intermediate

Household ProductsInformation on 2 consumer products that contain Isotridecanol in the following categories is provided:；• Inside the Home

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2 件

Petrochemical Manufacturing；Wholesale and Retail Trade；Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Isotridecanol: ACTIVE

応用分野

使用11-Methyldodecanol in one of the Me-substituted dedecanols tested for growth-inhibitory action against 5 virulent strains of human Mycobacterium tuberculosis.