세틸클로로포르메이트

Cetyl chloroformate

HCID 97633CAS 26272-90-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCCCCCCCCCCOC(=O)Cl
InChIKey: HOQUWXSARQBQCW-UHFFFAOYSA-N
분자식: C17H33ClO2
평균 분자량: 304.9 g/mol
단동위원소 질량: 304.216908

이름 및 식별자

우선 이름: Cetyl chloroformate
IUPAC: hexadecyl carbonochloridate
현지명: 세틸클로로포르메이트
영어명: Cetyl chloroformate
분자식: C17H33ClO2
분자량: 304.9

이름 및 동의어

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

이름 더 보기

세틸클로로포르메이트Palmityl chloroformateChloroforMate cetyl esterHEXADECYL CHLOROCARBONATE? Chloro hexadecyl formateHexadecyl Chloroformate >CHLOROFORMIC ACID CETYL ESTER

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 8.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 16
무거운 원자 수: 20
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 14 °C · 14 °C
끓는 점: 367.1 · 367.1±11.0 °C(Predicted)
밀도: 0.923 g/mL · 0.923 g/mL at 25 °C(lit.)
증기압: 10 Pa · 10Pa at 20℃
굴절률: 20 · n20/D 1.4480(lit.)
인화점: 230 °F · >230 °F
물리적 상태: 투명한 액체
색상: 무색~연황색
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
EPA: Carbonochloridic acid, hexadecyl ester (26272-90-2)

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

Chemical: Carbonochloridic acid, hexadecyl ester

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29159000
risk_code: 34-43
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 6.1/8

화학 및 산업

용도 및 제조

General Manufacturing InformationCarbonochloridic acid, hexadecyl ester: ACTIVE

응용 분야

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