CAS 3547-33-9 2-(Octylthio)ethanol (HCID 19079)

部分構造検索類似構造を探す

基本情報

CAS: 3547-33-9
標準SMILES: CCCCCCCCSCCO
InChIKey: KXPXKNBDCUOENF-UHFFFAOYSA-N
分子式: C10H22OS
平均分子量: 190.35 g/mol
単同位体質量: 190.13913632

概要

2-(Octylthio)ethanol is an organic sulfide.

名称と識別子

優先名称: 2-(Octylthio)ethanol
IUPAC: 2-octylsulfanylethanol
現地名: 2-(オクチルチオ)エタノール
英語名: 2-Hydroxyethyl-n-octyl sulphide
分子式: C10H22OS
分子量: 190.35

名称と別名

2-(Octylthio)ethanol3547-33-92-Hydroxyethyl octyl sulfideETHANOL, 2-(OCTYLTHIO)-MGK repellent 874R-874 phillipsMGK repellent R-8742-Hydroxyethyl n-octyl sulfide2-(Oktylthio)ethanolMGK 874Caswell No. 489BR-874

名称をさらに表示

MGKこん虫忌避剤8742-オクチルチオエタノール2-(オクチルチオ)エタノールヒドロキシエチルオクチルスルフィド2-(オクチルスルファニル)エタン-1-オール2-ヒドロキシエチル(オクチル)スルフィドr-874phillipsRepellent 874mgkrepellent874PHILLIPS R-874(R)mgkrepellentr-874

2-(Oktylthio)ethanol [Czech]2-Hydroxyethyl-n-octyl sulfideNSC 163967DTXSID6032516MGK R-874R 874EINECS 222-598-42-Hydroxyethyl octyl sulphide

データベース識別子

CAS: 3547-33-9
PubChem CID: 19079
DTXSID: DTXSID6032516
ChEMBL: CHEMBL3183276
ChEBI

物性

構造計算による物性

XLogP: 3.6
極性表面積: 45.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 9
重原子数: 12
形式電荷: 0
複雑度: 76.2

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: 0 °C · 0°C
沸点: 325.88 °C · 325.88°C (rough estimate)
比重(密度): 0.93 · 0.9300
蒸気圧: 0.042 Pa · 0.042Pa at 25℃
屈折率: 1.476 · 1.4760 (estimate)
貯蔵温度: -15 °C · -15°C
酸解離定数(Pka): 14.52 · 14.52±0.10(Predicted)
色: 淡い琥珀色の液体
BRN: 1698968 · 1698968
LogP: 3.64 · 3.64
EPAの化学物質情報: 2 · 2-Hydroxyethyl octyl sulfide (3547-33-9)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

H315 (35.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanol, 2-(octylthio)-

Ethanol, 2-(octylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(octylthio)- 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: 28-11-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12740

2-(Octylthio)ethanol 2-hydroxyethyl octyl sulphide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3 件

Skin Irrit. 2 (35.9%)

Eye damage - category 1

Eye Dam. 1

安全データ

tsca: TSCA listed
rtecs: KL9700000
ridadr: UN 3082 9 / PGIII
毒性: LD50 orl-rat: 8530 mg/kg FMCHA2 -,C157,83
risk_code: 41
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: Xi
safety_code: 26

化学と産業

用途と製造

U.S. Production2023: 500,000 - <1,000,000 lb

Industry UsesIntermediate

Household ProductsInformation on 2 consumer products that contain 2-Hydroxyethyl octyl sulfide in the following categories is provided:

General Manufacturing Information · 2 件

Petroleum Lubricating Oil and Grease Manufacturing

Ethanol, 2-(octylthio)-: ACTIVE

サプライヤー26 社

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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北鑫杰成化工科技有限公司13554075426 · [email protected]

砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]

化合物ノート

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