Cyclopentanethiol (HCID 15510)

名称と識別子

優先名称: Cyclopentanethiol
IUPAC: cyclopentanethiol
現地名: シクロペンタンチオール
英語名: Cyclopentanethiol
分子式: C5H10S
分子量: 102.2

名称と別名

CYCLOPENTANETHIOL1679-07-8Cyclopentyl mercaptanMercaptocyclopentaneCyclopentylthiolFEMA No. 3262DTXSID1047108BRN 2343861EINECS 216-841-3H279996YO9CYCLOPENTANETHIOL [FHFI]DTXCID9027108

名称をさらに表示

シクロペンタンチオールシクロペンチルメルカプタンメルカプトシクロペンタンシクロペンタンチオール, 97%FEMA 3262CyclopentanthiolCyclopentanethiol >Cyclopentanethiol 97%CYCLOPENTANETHIOL 97+%mercaptancyclopentylique

4-06-00-00015 (Beilstein Handbook Reference)RefChem:581007216-841-3MFCD00001369cyclopentyl thiolUNII-H279996YO9cyclopen-tanethiolcyclopentane thiol

データベース識別子

CAS: 1679-07-8
PubChem CID: 15510
DTXSID: DTXSID1047108
ChEMBL: CHEMBL3186752
ChEBI: CHEBI:173317
UNII: H279996YO9
EC Number: 216-841-3
Nikkaji: J43.297K

物性

構造計算による物性

XLogP: 1.8
極性表面積: 1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 37

実験および物理化学的性質

Density0.920-0.925

Solubility · 3 件

758 mg/L @ 25 °C (calc.)

slightly soluble in water; soluble in alcohol and oils

(in ethanol)

Boiling Point · 2 件

41.00 to 42.00 °C. @ 16.00 mm Hg

131 °C

Refractive Index1.488

Physical Descriptioncolourless liquid

Kovats Retention Index · 2 件

829

1107；1111；1133；1139.1

物理化学的性質

融点: -117.76 °C · -117.76°C
沸点: 129 · 129-131 °C/745 mmHg (lit.)
比重(密度): 0.955 g/mL · 0.955 g/mL at 25 °C (lit.)
蒸気密度: 0.96 · 0.96 (vs air)
蒸気圧: 1 mm · 1 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.4902(lit.)
FEMA: 3262 · 3262 | CYCLOPENTANETHIOL
闪点: 77 °F · 77 °F
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): 10.87 · 10.87±0.20(Predicted)
外見: 液体
色: 無色透明～淡黄色
臭い (Odor): 0.01 %。ネギ科タマネギ · プロピレングリコール中0.01%。ネギ科タマネギニンニク西洋わさび野菜セロリ卵たっぷり
においのタイプ: ニンニクっぽい
由来生物: synthetic
水溶解度: 水にわずかに溶けます。アルコールや油に溶ける。
比熱容量: 1.62 J/ · Cp(liquid): 1.62 J/(g·K), at 25℃
JECFA Number: 516 · 516
BRN: 2343861 · 2343861
InChI: 1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
InChIKey: WVDYBOADDMMFIY-UHFFFAOYSA-N
SMILES: SC1CCCC1
LogP: 2.21 · 2.21
CAS データベース: 1679 · 1679-07-8(CAS DataBase Reference)
EPAの化学物質情報: Cyclopentanethiol (1679-07-8)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.；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: Cyclopentanethiol

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

Cyclopentanethiol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

法規制情報

Regulatory Information · 3 件

Chemical: Cyclopentanethiol

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

Cyclopentanethiol: 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: GY4701000
ridadr: UN 3336 3/PG 3
hs_code: 29309090
risk_code: 10
消防法: 危-4-2-III
safety_code: 16-23-24/25
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationCyclopentanethiol: INACTIVE

応用分野

説明Cyclopentanethiol belongs to the class of organic compounds known as alkylthiols. These organic compounds contain the thiol functional group linked to an alkyl chain. Cyclopentanethiol is an alliaceous, celery, and citrus-tasting compound.

使用Cyclopentanethiol has used as a food spice. It is a pharmaceutical intermediate.

調製方法

製造方法From cyclopentyl bromide and potassium hydrosulfide; by treating cycloalkanone dimethyl dithioacetals with four equivalents of an alkaline metal; from cyclopentyl naphthyl sulfide and an aluminosilicate catalyst.