1-Chlorooctadecane (HCID 18815)

名称と識別子

優先名称: 1-Chlorooctadecane
IUPAC: 1-chlorooctadecane
現地名: 1-クロロオクタデカン
英語名: 1-Chlorooctadecane
分子式: C18H37Cl
分子量: 288.94

名称と別名

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

名称をさらに表示

1-クロロオクタデカンステアリルクロリドオクタデシルクロリドステアリルクロライド塩化N-オクタデシル塩化ステアリル1‐クロロオクタデカン1-クロロオクタデカン, 1000 µg/mL in HexaneSTEARYL CHLORIDEoctadecane,1-chloro-orooctadecane1-Chlorooctade1-Chloroctadecane1-chloro-octadecan1-ChlorooCLadecane

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

データベース識別子

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

物性

構造計算による物性

XLogP: 10.1
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 16
重原子数: 19
形式電荷: 0
複雑度: 145

実験および物理化学的性質

Physical DescriptionLiquid

Kovats Retention Index · 3 件

2069.8；2079；2080.8

2070；346.7

2307；2312；2306；2294；2288

物理化学的性質

融点: 20 · 20-24 °C
沸点: 157 · 157-158 °C/1.5 mmHg (lit.)
比重(密度): 0.849 g/mL · 0.849 g/mL at 25 °C (lit.)
蒸気圧: 0.002 Pa · 0.002Pa at 25℃
屈折率: 20 · n20/D 1.451(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム（微量）、ジクロロメタン（微量）
外見: liquid
色: Colorless to Almost colorless
水溶解度: 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
CAS データベース: 3386 · 3386-33-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · Octadecane, 1-chloro-(3386-33-2)
EPAの化学物質情報: 1 · Octadecane, 1-chloro- (3386-33-2)

化学的性質

化学的特性clear colorless to yellowish liquid after melting

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

毒性情報

EPA Provisional Peer-Reviewed Toxicity Values · 3 件

1-Chlorooctadecane

PDF Document

2015

法規制情報

Regulatory Information · 4 件

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: RG0187200
ridadr: UN 1593 6.1/PG 3
hs_code: 29031980
risk_code: 36/37/38-63-20/22-45-40
化審法: (2)-66, (2)-68
消防法: 危-4-3-III
hazard_code: Xi,T,Xn
safety_code: 26-36-45-36/37/39-23-53-36/37-24/25
自然発火温度: 320°C
Hazard Classifications: Aquatic Chronic 4Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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 · 2 件

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

Octadecane, 1-chloro-: ACTIVE

応用分野 · 2 件

使用1-Chlorooctadecane has been used as internal standard for the determination of endocrine disrupters in water samples by stir bar sorptive extraction method.

一般的な説明Kinetic 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.