Tert-dodecanethiol (HCID 32793)

名称と識別子

優先名称: Tert-dodecanethiol
IUPAC: 2,3,3,4,4,5-hexamethylhexane-2-thiol
現地名: tert-ドデシルメルカプタン
英語名: tert-dodecylthiol
分子式: C12H26S
分子量: 202.4

名称と別名

TERT-DODECANETHIOLtert-Dodecylthioltert-Dodecyl mercaptan2,3,3,4,4,5-hexamethylhexane-2-thiolSulfole 120t-Dodecanethiolt-DDMDTXSID1025221G00MDQ58TBNCGC00091163-03tert-Lauryl MercaptanCCRIS 6030

名称をさらに表示

tert-ドデシルメルカプタンtert-ラウリルメルカプタン2,3,3,4,4,5-ヘキサメチル-2-ヘキサンチオールターシャリ-ドデカンチオールtert-ドデカンチオールtert-ドデシルチオールスルホール120ｔ－ドデシルメルカプタンｔドデシルメルカプタンアルキルメルカプタン(C1～18)T-ドデカンチオールTERT-ドデシルメルカブタンTDMDodecanethioltert-DodecanetdodecanethioltertiaireTert-Dodecyl Mercaptane

terc.Dodecylmerkaptan [Czech]2,3,3,4,4,5-Hexamethyl-2-hexanethiolt-DodecylmercaptanEINECS 246-619-1terc.DodecylmerkaptanBRN 1738382TERT-DODECYL THIOLT-DODECYL MERCAPTAN

データベース識別子

CAS: 25103-58-6
PubChem CID: 32793
DTXSID: DTXSID1025221
ChEMBL: CHEMBL1325985
UNII: G00MDQ58TB
EC Number: 246-619-1
Nikkaji: J76.265B

物性

構造計算による物性

XLogP: 4.8
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: 3
重原子数: 13
形式電荷: 0
複雑度: 176

実験および物理化学的性質

Physical DescriptionLarge Crystals; Liquid

物理化学的性質

融点: -7.5 °C · -7.5°C
沸点: 227 · 227-248 °C (lit.)
比重(密度): 0.86 g/mL · 0.86 g/mL at 20 °C (lit.)
蒸気圧: 1.33 hPa · 1.33 hPa (25.5 °C)
屈折率: 1.4486 · 1.4486 (estimate)
闪点: 195 °F · 195 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.1 g/l · <0.1g/l
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 0.1 g/100 · <0.1 g/100 mL で 23 ºC
BRN: 1738382 · 1738382
InChI: 1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3
InChIKey: CXUHLUIXDGOURI-UHFFFAOYSA-N
SMILES: SC(C(C(C(C)C)(C)C)(C)C)(C)C
LogP: 7.43 at · 7.43 at 20℃
CAS データベース: 25103 · 25103-58-6(CAS DataBase Reference)
EPAの化学物質情報: tert-Dodecanethiol (25103-58-6)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.3% (25 of 1065) of reports.

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1065 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 4 件

Chemical: tert-Dodecanethiol

tert-Dodecanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of tert-Dodecanethiol 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: 01-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13431

t-Dodecanethiol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - tert-Dodecanethiol: Human health tier I assessment

Hazard Classes and Categories · 3 件

Skin Irrit. 2 (95.6%)

Flammable liquids - Category 4

安全データ

wgk: 2
tsca: TSCA listed
rtecs: JR3150000
ridadr: UN 3082 9/PG 3
毒性: LD50 orally in Rabbit: 6800 mg/kg LD50 dermal Rabbit 12600 mg/kg
PRTR法: 第一種指定化学物質
hs_code: 29309070
risk_code: 36/38-50/53
化審法: (2)-464
消防法: 危-4-3-III
hazard_code: Xi,N
safety_code: 26-36-60
hazard_class: 9
packing_group: III
自然発火温度: 350 °C
Hazard Classifications: Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1B
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 25,000,000 - <40,000,000 lb

Consumer UsesChain transfer agent

Industry UsesFlotation agent

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

tert-Dodecanethiol: ACTIVE

応用分野 · 4 件

用途SBR?ABS樹脂重合調整剤

用途有機合成原料(合成ゴム、樹脂、医薬、殺虫剤、殺菌剤、洗剤)。

使用Tert-dodecylthiol is used in the polymer industry and as a processing regulator, processing aid (i.e. pH value regulator, flocculant and precipitant), lubricant, for the manufacture of plastic materials, resins, paints, coatings, rubber products, and mining, among other things.

一般的な説明Clear white to pale yellow liquid with a repulsive odor.