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Phenethyl isovalerate

CAS 140-26-1C13H18O2MW 206.13 g/mol

Phenethyl isovalerate (CAS No. 140-26-1) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.

Product Overview

CAS Number140-26-1
Molecular FormulaC13H18O2
Molecular Weight206.13 g/mol
Boiling Point263.00 to 264.00 °C. @ 760.00 mm Hg
LogP3.6
Purity按批次COA提供(不公开发布)
Packaging按订单/批次确认(不公开发布)
ApplicationsFlavors
CategoryFlavors

Applications

Flavors

Packaging & Storage

Packaging按订单/批次确认(不公开发布)
Purity按批次COA提供(不公开发布)
StorageSealed, cool and dry place
ShippingStandard chemical transport
SampleAvailable on request
Lead TimeIn stock / per order

Quality & Documentation

COA (Certificate of Analysis) is provided with every batch. MSDS/technical data sheets and third-party test reports are available on request. Purity and packaging are subject to batch COA and order confirmation.

Frequently Asked Questions

What is the CAS number of Phenethyl isovalerate?

The CAS number of Phenethyl isovalerate is 140-26-1.

What purity and packaging are available?

Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.

What are the applications of Phenethyl isovalerate?

Main applications include Flavors.

How do I buy Phenethyl isovalerate or get a quote?

Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..

PubChem Public Data

Description

Phenethyl isovalerate is identified by CAS 140-26-1, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII K86JE60K0L; InChIKey JIMGVOCOYZFDKB-UHFFFAOYSA-N. Boiling Point: 263.00 to 264.00 °C. @ 760.00 mm Hg; Boiling Point: 263 °C; Density: 0.973-0.976.

Identification

CAS Registry Number140-26-1
PubChem CID8792
Molecular formulaC13H18O2
Molecular weight206.13 g/mol
IUPAC name2-phenylethyl 3-methylbutanoate
InChIKeyJIMGVOCOYZFDKB-UHFFFAOYSA-N
UNII (FDA)K86JE60K0L
FEMA number2871
JECFA number994

Computed Descriptors

Molecular Weight206.28
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass206.130679813
Monoisotopic Mass206.130679813
Topological Polar Surface Area26.3
Heavy Atom Count15
Formal Charge0

Physical & Chemical Properties

Boiling Point263.00 to 264.00 °C. @ 760.00 mm Hg
Boiling Point263 °C
Density0.973-0.976
Refractive Index1.482-1.487

Physical description & handling notes

  • Colourless to slighty yellow liquid; fruity or rose-like odour
  • Insoluble in water; soluble in oils
  • 1 mL in 3 ml 80% ethanol (in ethanol)

Regulatory Status

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Floral, Mint
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary74.1% (326 / 440)

GHS Hazard Classification

GHS notification summary74.1% (326 / 440)
Reported hazard statementsH411 (25.9%)

This chemical does not meet GHS hazard criteria for 74.1% (326 of 440) of all reports.

H411 (25.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Documented Uses

  • Flavoring Agents -> JECFA Flavorings Index
  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Butanoic acid, 3-methyl-, 2-phenylethyl ester: ACTIVE

Synonyms

140-26-1; Phenethyl isovalerate; Phenylethyl isovalerate; Butanoic acid, 3-methyl-, 2-phenylethyl ester; ISOVALERIC ACID, PHENETHYL ESTER; Phenylethyl 3-methylbutyrate; FEMA No. 2871; K86JE60K0L; NSC-21899; DTXSID2059693; RefChem:172673; DTXCID3034539; 205-406-3; 2-Phenylethyl 3-methylbutanoate; 2-Phenylethyl isovalerate; phenethyl 3-methylbutanoate

Frequently Asked Questions

What are the CAS number and molecular formula of Phenethyl isovalerate?

CAS 140-26-1; molecular formula C13H18O2; molecular weight 206.13 g/mol.

What other names is Phenethyl isovalerate known by?

140-26-1, Phenethyl isovalerate, Phenylethyl isovalerate, Butanoic acid, 3-methyl-, 2-phenylethyl ester, ISOVALERIC ACID, PHENETHYL ESTER, Phenylethyl 3-methylbutyrate.

What is the regulatory status of Phenethyl isovalerate?

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

Is Phenethyl isovalerate classified as hazardous?

74.1% of GHS notifications report no hazard classification (326 of 440).

What are the key physical properties of Phenethyl isovalerate?

Boiling Point: 263.00 to 264.00 °C. @ 760.00 mm Hg; Boiling Point: 263 °C; Density: 0.973-0.976; Refractive Index: 1.482-1.487.

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.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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