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4-Methoxy-2-methyl-2-butanethiol

CAS 94087-83-9C6H14OSMW 134.08 g/mol

4-Methoxy-2-methyl-2-butanethiol（CAS 94087-83-9）：分子式 C6H14OS、分子量 134.08 g/mol。

产品概览

CAS号94087-83-9
分子式C6H14OS
分子量134.08 g/mol
沸点159.00 to 160.00 °C. @ 760.00 mm Hg
LogP1.3
应用领域Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butanethiol、4-methoxy-2-methyl-: ACTIVE

应用领域

登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butanethiol、4-methoxy-2-methyl-: ACTIVE。

技术档案

这个产品是什么

4-Methoxy-2-methyl-2-butanethiol 是一种化工化合物，登记 CAS 号为 94087-83-9，分子式 C6H14OS（分子量 134.08 g/mol）。

识别信息

登记 CAS 号：94087-83-9

其分子式 C6H14OS 由 6 个碳、14 个氢、1 个氧、1 个硫 组成。

别名/同义词：4-Methoxy-2-methyl-2-butanethiol · 4-methoxy-2-methylbutane-2-thiol

常见问题

4-Methoxy-2-methyl-2-butanethiol 的 CAS 号是多少？

4-Methoxy-2-methyl-2-butanethiol 的 CAS 登记号为 94087-83-9。

4-Methoxy-2-methyl-2-butanethiol 的分子式与分子量是多少？

分子式 C6H14OS，分子量 134.08 g/mol。

4-Methoxy-2-methyl-2-butanethiol 还有哪些别名？

别名/同义词：4-Methoxy-2-methyl-2-butanethiol、4-methoxy-2-methylbutane-2-thiol。

4-Methoxy-2-methyl-2-butanethiol 的登记用途是什么？

登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Butanethiol、4-methoxy-2-methyl-: ACTIVE。

PubChem 公开数据

4-Methoxy-2-methyl-2-butanethiol（CAS 94087-83-9）的独立参考数据，整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number94087-83-9
PubChem CID526195
Molecular formulaC6H14OS
Molecular weight134.08 g/mol
IUPAC name4-methoxy-2-methylbutane-2-thiol
InChIKeyXVHGKKGBUDMTIQ-UHFFFAOYSA-N
UNII (FDA)X72J2YFL9Y
ChEBI IDCHEBI:193637
FEMA number3785
JECFA number548

计算分子描述符

Molecular Weight134.24
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass134.07653624
Monoisotopic Mass134.07653624
Topological Polar Surface Area10.2
Heavy Atom Count8

在册的理化数值

Boiling Point159.00 to 160.00 °C. @ 760.00 mm Hg
Boiling Point59 °C

在册的记载用途

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    同义词与商品名

    4-Methoxy-2-methyl-2-butanethiol; 4-Methoxy-2-methylbutane-2-thiol; 94087-83-9; 2-Butanethiol, 4-methoxy-2-methyl-; EINECS 301-977-9; X72J2YFL9Y; 4-Methoxy-2-methyl-2-mercaptobutane; DTXSID9052634; FEMA NO. 3785; 2-MERCAPTO-4-METHOXY-2-METHYLBUTANE; 4-METHOXY-2-METHYL-2-BUTANETHIOL [FHFI]; RefChem:524534; DTXCID6031207; 301-977-9; 4-methoxy-2-methyl-butane-2-thiol; 4-methoxy-2-methylbutanethiol-2

    已收录的法规名录

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Black Currant, Cat
    No safety concern at current levels of intake when used as a flavouring agent

    GHS 危害分类

    Reported hazard statementsH226 (100%), H302 (91.8%)

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

    H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

    公开数据库对它的描述

    4-Methoxy-2-methyl-2-butanethiol is identified by CAS 94087-83-9, molecular formula C6H14OS and molecular weight 134.08 g/mol. UNII X72J2YFL9Y; ChEBI 193637; InChIKey XVHGKKGBUDMTIQ-UHFFFAOYSA-N. Boiling Point: 159.00 to 160.00 °C. @ 760.00 mm Hg; Boiling Point: 59 °C.

    物理形态与操作说明

    数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。

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