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3-(Methylthio)-1-hexanol

CAS 51755-66-9C7H16OSMW 148.09 g/mol

3-(Methylthio)-1-hexanol（CAS 51755-66-9）：分子式 C7H16OS、分子量 148.09 g/mol。

产品概览

CAS号51755-66-9
分子式C7H16OS
分子量148.09 g/mol
沸点140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg)
LogP1.9
应用领域Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index

应用领域

登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。

技术档案

这个产品是什么

3-(Methylthio)-1-hexanol 是一种化工化合物，登记 CAS 号为 51755-66-9，分子式 C7H16OS（分子量 148.09 g/mol）。

识别信息

登记 CAS 号：51755-66-9

其分子式 C7H16OS 由 7 个碳、16 个氢、1 个氧、1 个硫 组成。

别名/同义词：3-(Methylthio)-1-hexanol · 3-METHYLTHIO-1-HEXANOL

常见问题

3-(Methylthio)-1-hexanol 的 CAS 号是多少？

3-(Methylthio)-1-hexanol 的 CAS 登记号为 51755-66-9。

3-(Methylthio)-1-hexanol 的分子式与分子量是多少？

分子式 C7H16OS，分子量 148.09 g/mol。

3-(Methylthio)-1-hexanol 还有哪些别名？

别名/同义词：3-(Methylthio)-1-hexanol、3-METHYLTHIO-1-HEXANOL。

3-(Methylthio)-1-hexanol 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。

PubChem 公开数据

3-(Methylthio)-1-hexanol（CAS 51755-66-9）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 Number51755-66-9
PubChem CID65413
Molecular formulaC7H16OS
Molecular weight148.09 g/mol
IUPAC name3-methylsulfanylhexan-1-ol
InChIKeyJSASXSHMJYRPCM-UHFFFAOYSA-N
UNII (FDA)CFU4A74TQT
FEMA number3438
JECFA number463

计算分子描述符

Molecular Weight148.27
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass148.09218630
Monoisotopic Mass148.09218630
Topological Polar Surface Area45.5
Heavy Atom Count9

在册的理化数值

Boiling Point140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg)
Density0.964-0.974 (20 °C)
Refractive Index1.474-1.489

在册的记载用途

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index

同义词与商品名

3-(Methylthio)-1-hexanol; 51755-66-9; 3-(Methylthio)hexan-1-ol; 3-methylsulfanylhexan-1-ol; 1-Hexanol, 3-(methylthio)-; 3-(Methylmercapto)-1-hexanol; FEMA No. 3438; CFU4A74TQT; 3-methylthio-1-hexanol; 3-(methyl thio) hexanol; EINECS 257-380-8; AI3-37114; 3-METHYLTHIO-1-HEXANOL [FHFI]; RefChem:495589; (+-)-3-(METHYLTHIO)-1-HEXANOL; 3-(METHYLTHIO)-1-HEXANOL, (+-)

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, Fruit, Melon
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary1.8% (27 / 1475)

GHS 危害分类

GHS notification summary1.8% (27 / 1475)
Reported hazard statementsH315 (91.1%), H319 (91.3%), H335 (98.1%)

This chemical does not meet GHS hazard criteria for 1.8% (27 of 1475) of reports.

H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]

公开数据库对它的描述

3-(Methylthio)-1-hexanol is identified by CAS 51755-66-9, molecular formula C7H16OS and molecular weight 148.09 g/mol. UNII CFU4A74TQT; InChIKey JSASXSHMJYRPCM-UHFFFAOYSA-N. Boiling Point: 140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg); Density: 0.964-0.974 (20 °C); Refractive Index: 1.474-1.489.

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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