11-メチルドデカノール

11-メチルドデカノール · 11-メチルドデシルアルコール · Einecs 288-581-9 · 11-methyldodecanol · 1-Dodecanol, 11-methyl-

https://huagongshe.com/ja/chemical/33865

識別子と物理属性

CAS No.	27458-92-0
分子式	C13H28O
平均分子量	200.36 g/mol
単同位体質量	200.21401551 g/mol
SMILES	CC(C)CCCCCCCCCCO
InChIKey	XUJLWPFSUCHPQL-UHFFFAOYSA-N
PubChem CID	33865
ChEBI	CHEBI:77438
EC No.	248-469-2
DTXSID	DTXSID7058676
現地名	11-メチルドデカノール

化学・物理的性質

XLogP	5.4
極性表面積	20.2
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
Physical Description	Liquid
沸点	86-88 °C(Press: 0.2 Torr)
密度	0.831±0.06 g/cm3(Predicted)
貯蔵条件	Room Temperature, under inert atmosphere
溶解度	クロロホルム（微量）、メタノール（微量）
pKa（酸解離定数）	15.20±0.10(Predicted)
外観・状態	個体
色	白からオフホワイトへ
LogP（分配係数）	5.470 (est)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 3.5% (178 of 5060) of reports.WarningH315 (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.
規制情報	Chemical: IsotridecanolIsotridecanol 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/2154Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (87.6%)Aquatic Acute 1 (95.3%)Aquatic Chronic 1 (92.1%)
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

用途

使用

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