3-エチルチオ-1-プロパノール

gamma-Hydroxypropyl ethyl sulfide

HCID 87762CAS 18721-61-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CCSCCCO
InChIKey: KRUJXSIEMOWXOF-UHFFFAOYSA-N
分子式: C5H12OS
平均分子量: 120.22 g/mol
単同位体質量: 120.06088618

名称と識別子

優先名称: gamma-Hydroxypropyl ethyl sulfide
IUPAC: 3-ethylsulfanylpropan-1-ol
現地名: 3-エチルチオ-1-プロパノール
英語名: 3-(Ethylthio)propanol
分子式: C5H12OS
分子量: 120.21

名称と別名

3-(Ethylthio)propanol18721-61-43-(ethylthio)propan-1-ol1-Propanol, 3-(ethylthio)-3-ethylsulfanylpropan-1-ol3-(ethylthio)-1-propanolGV26YUE5ZTEthyl 3-hydroxypropyl sulfideEINECS 242-534-9NSC-139001gamma-Hydroxypropyl ethyl sulfideDTXSID50171991

名称をさらに表示

3-(エチルチオ)-1-プロパノール3-エチルチオ-1-プロパノール3-(エチルチオ)プロパノール3-Ethylthio-1-propanol3-(ethylthio)-1-propanoEthyl-3-(hydroxypropyl)sulfideEthyl 3-(hydroxypropyl) sulphide

NSC 139001.GAMMA.-HYDROXYPROPYL ETHYL SULFIDERefChem:639590DTXCID1094482242-534-93-(ethylsulfanyl)propan-1-olMFCD002360413-ethyl thiopropanol

データベース識別子

CAS: 18721-61-4
PubChem CID: 87762
DTXSID: DTXSID50171991
UNII: GV26YUE5ZT
EC Number: 242-534-9
Nikkaji: J222.284A

物性

構造計算による物性

XLogP: 0.9
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: 4
重原子数: 7
形式電荷: 0
複雑度: 31

実験および物理化学的性質

Kovats Retention Index1802

物理化学的性質

沸点: 227 · 227-228°C
比重(密度): 0 · 0,992 g/cm3
屈折率: 1.483 · 1.4830
闪点: 75 °C · 75°C
外見: solid
臭い (Odor): 0.1 %。硫黄野菜のジャガイモ · プロピレングリコール中0.10%。硫黄野菜のジャガイモ
においのタイプ: 硫黄の
BRN: 1732293 · 1732293
InChI: 1S/C5H12OS/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChIKey: KRUJXSIEMOWXOF-UHFFFAOYSA-N
SMILES: OCCCSCC
LogP: 0.927 · 0.927 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 3 件

Chemical: 1-Propanol, 3-(ethylthio)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Propanol, 3-(ethylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

法規制情報

Regulatory Information · 3 件

Chemical: 1-Propanol, 3-(ethylthio)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Propanol, 3-(ethylthio)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: WGK 3
risk_code: 36/37/38
safety_code: 26-36/37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

サプライヤー12 社

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]