1-Chlorooctadecane (HCID 18815)

이름 및 식별자

우선 이름: 1-Chlorooctadecane
IUPAC: 1-chlorooctadecane
영어명: 1-Chlorooctadecane
분자식: C18H37Cl
분자량: 288.94

이름 및 동의어

1-CHLOROOCTADECANE3386-33-2Octadecyl chlorideOctadecane, 1-chloro-n-Octadecyl chlorideDTXSID302753673H8VD533IJ595INSC-5543DTXCID007536RefChem:75460222-207-7

이름 더 보기

STEARYL CHLORIDEoctadecane,1-chloro-orooctadecane1-Chlorooctade1-Chloroctadecane1-chloro-octadecan1-ChlorooCLadecane

ChlorooctadecaneMFCD00000960stearylchlorideOctadecane, chloro-C18H37ClNSC 5543EINECS 222-207-71-Chlorooctadecane 10000 microg/mL in Dichloromethane

데이터베이스 식별자

CAS: 3386-33-2
PubChem CID: 18815
DTXSID: DTXSID3027536
ChEMBL: CHEMBL3187568
UNII: 73H8VD533I
EC Number: 222-207-7
Nikkaji: J595I

물성

구조 계산 물성

XLogP: 10.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 16
무거운 원자 수: 19
형식 전하: 0
복잡도: 145

실험 및 물리화학적 성질

Physical DescriptionLiquid

Kovats Retention Index · 3건

2069.8；2079；2080.8

2070；346.7

2307；2312；2306；2294；2288

물리화학적 성질

녹는점: 20 · 20-24 °C
끓는 점: 157 · 157-158 °C/1.5 mmHg (lit.)
밀도: 0.849 g/mL · 0.849 g/mL at 25 °C (lit.)
증기압: 0.002 Pa · 0.002Pa at 25℃
굴절률: 20 · n20/D 1.451(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(약간), 디클로로메탄(약간)에 용해됨
물리적 상태: liquid
색상: 무색 내지 거의 무색
수용성: 0.03 g/L · 0.03g/L(20℃)
BRN: 1703350 · 1703350
InChI: 1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey: VUQPJRPDRDVQMN-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCl
LogP: 9.44 · 9.44
NIST: 1 · Octadecane, 1-chloro-(3386-33-2)
EPA: 1 · Octadecane, 1-chloro- (3386-33-2)

화학적 성질

clear colorless to yellowish liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3.9% (5 of 129) of reports.

Warning

H315 (96.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (35.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (35.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (59.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 129 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 129 reports by companies.；There are 10 notifications provided by 124 of 129 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 · 4건

Chemical: Octadecane, 1-chloro-

Octadecane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecane, 1-chloro- 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: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24576；Status: Active Update: 17-04-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1479

Octadecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (96.1%)；Skin Sens. 1 (31.8%)；Eye Irrit. 2A (35.7%)；STOT SE 3 (35.7%)；Aquatic Chronic 4 (59.7%)

독성 정보

EPA Provisional Peer-Reviewed Toxicity Values · 3건

1-Chlorooctadecane

PDF Document

2015

규제 정보

Regulatory Information · 4건

Chemical: Octadecane, 1-chloro-

Octadecane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecane, 1-chloro- 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: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24576；Status: Active Update: 17-04-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1479

Octadecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: RG0187200
ridadr: UN 1593 6.1/PG 3
HS 번호: 29031980
risk_code: 36/37/38-63-20/22-45-40
hazard_code: Xi,T,Xn
safety_code: 26-36-45-36/37/39-23-53-36/37-24/25
자연 발화 온도: 320°C
Hazard Classifications: Aquatic Chronic 4Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 124,152 lb；2022: 171,252 lb；2021: 1,189,418 lb；2020: 1,030,095 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing；All Other Basic Organic Chemical Manufacturing

Octadecane, 1-chloro-: ACTIVE

응용 분야 · 2건

용도1-Chlorooctadecane has been used as internal standard for the determination of endocrine disrupters in water samples by stir bar sorptive extraction method.

일반 설명Kinetic and thermodynamic analysis of catalytic hydrodechlorination of 1-chlorooctadecane in supercritical carbon dioxide using 5% Pd supported on γ-Al2O3 has been reported. Incorporation of 1-chlorooctadecane into a host monolayer of stearic acid has been reported.