基本情報
- CAS
7341-17-5- 標準SMILES
CCCCC(CC)CS- InChIKey
UCJMHYXRQZYNNL-UHFFFAOYSA-N- 分子式
- C8H18S
- 平均分子量
- 146.3 g/mol
- 単同位体質量
- 146.11292175
概要
2-Ethyl-1-hexanethiol is an alkanethiol.
名称と識別子
- 優先名称
- 2-Ethylhexanethiol
- IUPAC
- 2-ethylhexane-1-thiol
- 現地名
- 2-ブチルブタン-1-チオール
- 英語名
- 2-Ethyl-1-hexanethiol
- 分子式
- C8H18S
- 分子量
- 146.29
名称と別名
2-Ethylhexanethiol2-Ethyl-1-hexanethiol7341-17-52-Ethylhexane-1-thiol1-Hexanethiol, 2-ethyl-2-Ethylhexyl Mercaptan9M9TA4S7BLEINECS 230-854-1FEMA NO. 3833DTXSID808640412-ETHYLHEXANETHIOL [FHFI]RefChem:471937
名称をさらに表示
2-ブチルブタン-1-チオール2-エチル-1-ヘキサンチオール2-エチル-1-ヘキサンチオル2-エチルヘキシルメルカプタンUNII:9M9TA4S7BLEthylhexanethiolIso-octyl mercaptan2-ETHYL-1-HEXANETHIO2-Ethylhexan-1-thiol2-Ethylhexanethiol 97%
DTXCID50812594(+-)-2-ETHYLHEXANETHIOL2-ETHYLHEXANETHIOL, (+-)-230-854-12-EthylhexylmercaptanUNII-9M9TA4S7BLEthyl-1-hexanethiolMFCD00039654
データベース識別子
- CAS
7341-17-5- PubChem CID
- 110968
- DTXSID
DTXSID80864041- ChEBI
CHEBI:167084- UNII
- 9M9TA4S7BL
- EC Number
- 230-854-1
- Nikkaji
- J103.158I
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 1 Ų
- 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
- 5
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 52.5
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.817-0.827
Flavoring AgentsEU Flavoring substances
Solubility
soluble in oil and alcohol
(in ethanol)
Boiling Point
178.00 to 182.00 °C. @ 760.00 mm Hg
178-182 °C
Melting Point-40.00 to -39.00 °C. @ 760.00 mm Hg
Refractive Index1.453-1.459
Physical Descriptioncolourless to pale yellow liquid
物理化学的性質
- 融点
- -40 °C · -40 °C
- 沸点
- 67 °C/10mmHg · 67°C/10mmHg(lit.)
- 比重(密度)
- 0.843 g/mL · 0.843 g/mL at 25 °C
- 屈折率
- 20 · n20/D 1.457
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information1-Hexanethiol, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3336 3/PG 3
- hs_code
- 29309090
- risk_code
- 36-43-52/53
- 化審法
- (2)-464
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 26-36/37
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Resp. Sens. 1
- 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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Hexanethiol, 2-ethyl-: ACTIVE
応用分野
天然物の起源Reported found in potato.
使用2-Ethylhexanethiol can be used as a capping agent on the gold surface for the development of chemiresistive vapor sensors. It also forms a SAM on copper indium sulfide (CuInS2) which can be used as an active layer on organic electronic devices such as organic light emitting diodes (OLEDs) and solar cells.
一般的な説明2-Ethylhexanethiol is an organothiol that forms a self-assembled monolayer (SAM) on a variety of surfaces such as metal oxides and metals. It modifies the surface by acting as a corrosion inhibitor and increases the stability of the surface.
サプライヤー100 社
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
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.
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