4-甲基戊酸

Name: 4-甲基戊酸
Brand: 济南圣和化工有限公司

CAS 646-07-1C6H12O2MW 116.16主营产品

本页收录 4-甲基戊酸，CAS 登记号为 646-07-1，分子式 C6H12O2，分子量 116.16，归类于主营产品。作为主营产品之一，济南圣和化工有限公司可提供从公斤级到吨级的稳定供货，随货附 COA 与质检资料。

产品概览

CAS号	646-07-1
分子式	C6H12O2
分子量	116.16
熔点	-33 °C
沸点	199.00 to 201.00 °C. @ 760.00 mm Hg
LogP	1.4
纯度	按批次COA提供(不公开发布)
包装	按订单/批次确认(不公开发布)
应用领域	食用香精
类别	主营产品\|食用香精

应用领域

食用香精

4-甲基戊酸在食用香精领域使用广泛。采购前请确认纯度等级与包装形式，以批次 COA 为验收依据。

包装与储存

包装规格按订单/批次确认(不公开发布)

纯度规格按批次COA提供(不公开发布)

储存条件密封、阴凉干燥处保存

运输常规化工运输

样品可协商提供

交期现货/按订单安排

供货能力：4-甲基戊酸备有现货，包装形式为按订单/批次确认(不公开发布)。我们支持对公转账并开具增值税发票，山东省内可安排快速配送，省外按物流时效发货，具体请联系 info@591daili.com。

质量与文件

每批产品随货提供 COA（分析证书）；可按需提供 MSDS/技术数据表及第三方检测报告。纯度与包装以批次 COA 及订单确认为准。

关于供应商

选择济南圣和化工有限公司的理由：产品信息透明（含 CAS、分子式、理化参数）、报价响应快（一个工作日内）、单证齐全（COA/MSS/质检资料按需提供）、支持批量与长期协议供货。如需 4-甲基戊酸以外的配套原料，也欢迎一并列出需求清单。

常见问题

4-甲基戊酸的 CAS 号是多少？

4-甲基戊酸的 CAS 号为 646-07-1。

该产品的纯度和包装规格是什么？

常规纯度规格为按批次COA提供(不公开发布)，包装为按订单/批次确认(不公开发布)，随货提供 COA。

4-甲基戊酸有什么用途？

主要应用于食用香精。

如何购买或获取报价？

请发送邮件至 info@591daili.com 或通过 WhatsApp 联系，注明产品名称、CAS 号与需求数量，一个工作日内回复报价。供应商：济南圣和化工有限公司。

PubChem 公开数据

Description

Isohexanoic acid is identified by CAS 646-07-1, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII 4G4U8JA28T; ChEBI 74903; InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-N. Boiling Point: 199.00 to 201.00 °C. @ 760.00 mm Hg; Boiling Point: 199-201 °C; Melting Point: -33 °C.

Identification

CAS Registry Number	646-07-1
PubChem CID	12587
Molecular formula	C6H12O2
Molecular weight	116.08 g/mol
IUPAC name	4-methylpentanoic acid
InChIKey	FGKJLKRYENPLQH-UHFFFAOYSA-N
UNII (FDA)	4G4U8JA28T
ChEBI ID	CHEBI:74903
FEMA number	3463
JECFA number	264

Computed Descriptors

Molecular Weight	116.16
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	116.083729621
Monoisotopic Mass	116.083729621
Topological Polar Surface Area	37.3
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	199.00 to 201.00 °C. @ 760.00 mm Hg
Boiling Point	199-201 °C
Melting Point	-33 °C
Density	0.919-0.926
Vapor Pressure	0.44 [mmHg]
Refractive Index	1.412-1.417

Physical description & handling notes

Clear light brown liquid; [Sigma-Aldrich MSDS]
Liquid
colourless to pale yellow liquid with a sour, penetrating odour
1 ml in 1 ml 95% alcohol (in ethanol)
127.48 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (1 / 1591)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 1591)
Reported hazard statements	H311 (98%), H314 (96.5%), H318 (86%)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1591) of reports.

H311 (98%): Toxic in contact with skin [Danger Acute toxicity, dermal]

Documented Uses

Used as a flavoring agent; [FDA]
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Pentanoic acid, 4-methyl-: ACTIVE

Synonyms

4-Methylvaleric acid; 4-METHYLPENTANOIC ACID; Isocaproic acid; 646-07-1; Isohexanoic acid; Pentanoic acid, 4-methyl-; Isobutylacetic acid; Valeric acid, 4-methyl-; FEMA No. 3463; 4G4U8JA28T; NSC-4126; DTXSID8060951; CHEBI:74903; RefChem:791685; DTXCID7044342; 211-464-0

Frequently Asked Questions

What are the CAS number and molecular formula of Isohexanoic acid?

CAS 646-07-1; molecular formula C6H12O2; molecular weight 116.08 g/mol.

What other names is Isohexanoic acid known by?

4-Methylvaleric acid, 4-METHYLPENTANOIC ACID, Isocaproic acid, 646-07-1, Isohexanoic acid, Pentanoic acid, 4-methyl-.

What is the regulatory status of Isohexanoic acid?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Isohexanoic acid classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 1591).

What are the key physical properties of Isohexanoic acid?

Boiling Point: 199.00 to 201.00 °C. @ 760.00 mm Hg; Boiling Point: 199-201 °C; Melting Point: -33 °C; Density: 0.919-0.926.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.