1-Chlorooctadecane 分子结构式
HCID18815

1-Chlorooctadecane

C18H37Cl288.9 g/molCAS 3386-33-2

IDENTITY

结构与身份

标准SMILES
CCCCCCCCCCCCCCCCCCCl
InChIKey
VUQPJRPDRDVQMN-UHFFFAOYSA-N
分子式
C18H37Cl
平均分子量
288.9 g/mol
单同位素质量
288.2583789

COMPUTED

结构计算性质

已同步
XLogP
10.1
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
16
重原子
19
形式电荷
0
复杂度
145

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Liquid

Kovats Retention Index

2069.8;2079;2080.8

2070;346.7

2307;2312;2306;2294;2288

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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 Categories

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

TOXICITY

毒理信息

来源:PubChem
EPA Provisional Peer-Reviewed Toxicity Values

1-Chlorooctadecane

PDF Document

2015

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

USES

用途与制造

来源:PubChem
U.S. Production

2023: 124,152 lb;2022: 171,252 lb;2021: 1,189,418 lb;2020: 1,030,095 lb

Industry Uses

Intermediate

General Manufacturing Information

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

Octadecane, 1-chloro-: ACTIVE

ALIASES

名称与别名

共 49 条
1-CHLOROOCTADECANE3386-33-2Octadecyl chlorideOctadecane, 1-chloro-n-Octadecyl chlorideDTXSID302753673H8VD533IJ595INSC-5543DTXCID007536RefChem:75460222-207-7ChlorooctadecaneMFCD00000960stearylchlorideOctadecane, chloro-C18H37ClNSC 5543EINECS 222-207-71-Chlorooctadecane 10000 microg/mL in Dichloromethane

REACTIONS

参与反应

8
HRID 90228 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 374347 反应方程式

uspto-grants-1992_11 · 10.6084/m9.figshare.5104873.v1 · US05166427

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HRID 1159738 反应方程式

uspto-grants-2010_10 · 10.6084/m9.figshare.5104873.v1 · US07812251B2

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HRID 1608546 反应方程式

uspto-grants-1995_03 · 10.6084/m9.figshare.5104873.v1 · US05395815

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HRID 1720818 反应方程式

uspto-grants-1996_04 · 10.6084/m9.figshare.5104873.v1 · US05506267

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HRID 1994378 反应方程式

uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07652180B2

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HRID 2333639 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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HRID 2399658 反应方程式

uspto-grants-1995_09 · 10.6084/m9.figshare.5104873.v1 · US05451394

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