CAS 828-26-2 Trithioacetone (HCID 13233)

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基本情報

CAS: 828-26-2
標準SMILES: CC1(C)SC(C)(C)SC(C)(C)S1
InChIKey: NBNWHQAWKFYFKI-UHFFFAOYSA-N
分子式: C9H18S3
平均分子量: 222.4 g/mol
単同位体質量: 222.05706409

概要

2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane is a dithioketal.

名称と識別子

優先名称: Trithioacetone
IUPAC: 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
現地名: 2,2,4,4,6,6-ヘキサメチル-1,3,5-トリチアン
英語名: 2,2,4,4,6,6-Hexamethyl-S-trithiane
分子式: C9H18S3
分子量: 222.43

名称と別名

2,2,4,4,6,6-Hexamethyl-1,3,5-trithianeTrithioacetone2,2,4,4,6,6-Hexamethyl-S-trithianeHexamethyl-1,3,5-trithianeHexamethyl-S-trithiane1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-S-Trithiane, hexamethyl-tropical trithianeFEMA No. 3475s-TRITHIANE, 2,2,4,4,6,6-HEXAMETHYL-DTXSID2047723BRN 0106323

名称をさらに表示

2,2,4,4,6,6-ヘキサメチル-1,3,5-トリチアンFEMA 3475TrithicacetoneTRITHIOACETONE 90+%Three sulfur acetoneTRITHIOACETONE, NATURAL1,1-disulfanylpropane-2-thione

UNII-L0ME5B2ZWYL0ME5B2ZWYEINECS 212-582-5TRITHIOACETONE [FHFI]DTXCID1027712RefChem:192194NBNWHQAWKFYFKI-UHFFFAOYSA-N828-26-2

データベース識別子

CAS: 828-26-2
PubChem CID: 13233
DTXSID: DTXSID2047723

物性

構造計算による物性

XLogP: 4.1
極性表面積: 75.9 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 131

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.062-1.068

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

insoluble in water; miscible in oils

(in ethanol)

Boiling Point · 2 件

105.00 to 107.00 °C. @ 10.00 mm Hg

78.5 °C (0.5 mm Hg)

物理化学的性質

融点: 24 °C · 24 °C(lit.)
沸点: 105 · 105-107 °C10 mm Hg(lit.)
比重(密度)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 58.5% (79 of 135) of all reports.

Warning

H315 (40.7%): Causes skin irritation [Warning Skin corrosion/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 135 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (40.7%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: YL8350000
ridadr: UN 3334
hs_code: 29309090
risk_code: 36/37/38-36/38-11
消防法: 危-4-3-III
hazard_code: Xi,F
safety_code: 26-37/39-9-33-16
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-: ACTIVE

応用分野

天然物の起源Reported found in boiled and cooked beef.

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

化合物ノート

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