Cetyl chloroformate (HCID 97633)

名称と識別子

優先名称: Cetyl chloroformate
IUPAC: hexadecyl carbonochloridate
現地名: クロロぎ酸ヘキサデシル
英語名: Cetyl chloroformate
分子式: C17H33ClO2
分子量: 304.9

名称と別名

Cetyl chloroformate26272-90-2hexadecyl carbonochloridateHexadecyl chloroformateCarbonochloridic acid, hexadecyl esterChloroformic Acid Cetyl Estern-hexadecyl chloroformateWRC65MY1IDpalmityloxycarbonyl chlorideEINECS 247-578-2NSC 137911NSC-137911

名称をさらに表示

クロロぎ酸ヘキサデシルクロロぎ酸ヘキサデシルクロロぎ酸セチルカルボノクロリド酸ヘキサデシルヘキサデシルクロロフォ-メ-トクロロ蟻酸セチルクロロ蟻酸ヘキサデシルクロロ炭酸ヘキサデシルヘキサデシル=クロロホルマートヘキサデシルカルボノクロリダートPalmityl chloroformateChloroforMate cetyl esterHEXADECYL CHLOROCARBONATE? Chloro hexadecyl formateHexadecyl Chloroformate >CHLOROFORMIC ACID CETYL ESTER

DTXSID9067194EC 247-578-2FORMIC ACID, CHLORO-, HEXADECYL ESTERRefChem:575378DTXCID7037478247-578-2MFCD00035954UNII-WRC65MY1ID

データベース識別子

CAS: 26272-90-2
PubChem CID: 97633
DTXSID: DTXSID9067194
UNII: WRC65MY1ID
EC Number: 247-578-2
Nikkaji: J208.249G

物性

構造計算による物性

XLogP: 8.8
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 16
重原子数: 20
形式電荷: 0
複雑度: 207

物理化学的性質

融点: 14 °C · 14 °C
沸点: 367.1 · 367.1±11.0 °C(Predicted)
比重(密度): 0.923 g/mL · 0.923 g/mL at 25 °C(lit.)
蒸気圧: 10 Pa · 10Pa at 20℃
屈折率: 20 · n20/D 1.4480(lit.)
闪点: 230 °F · >230 °F
外見: clear liquid
色: Colorless to Light yellow
InChI: InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3
InChIKey: HOQUWXSARQBQCW-UHFFFAOYSA-N
SMILES: C(Cl)(OCCCCCCCCCCCCCCCC)=O
CAS データベース: 26272 · 26272-90-2(CAS DataBase Reference)
EPAの化学物質情報: Carbonochloridic acid, hexadecyl ester (26272-90-2)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 20% (37 of 185) of reports.

Warning

H290 (23.2%): May be corrosive to metals [Warning Corrosive to Metals]；H315 (79.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (78.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P234, P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P390, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 37 of 185 reports by companies.；There are 5 notifications provided by 148 of 185 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 · 2 件

Chemical: Carbonochloridic acid, hexadecyl ester

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11984

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazard Classes and CategoriesMet. Corr. 1 (23.2%)；Skin Irrit. 2 (79.5%)；Skin Sens. 1 (78.9%)

法規制情報

Regulatory Information · 2 件

Chemical: Carbonochloridic acid, hexadecyl ester

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11984

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34-43
化審法: (2)-3549
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 6.1/8
packing_group: II

化学と産業

用途と製造

General Manufacturing InformationCarbonochloridic acid, hexadecyl ester: ACTIVE

応用分野

使用Cetyl chloroformate combined with modified cellulose nanocrystals contributes to improving the catalytic performance of Candida albicans lipase B (CALB).