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trans-2-hexenyl butyrate

CAS 53398-83-7C10H18O2MW 170.13 g/mol

trans-2-hexenyl butyrate (CAS 53398-83-7) — formula C10H18O2, molecular weight 170.13 g/mol; category organic chemicals.

Product Description

trans-2-hexenyl butyrate (CAS 53398-83-7) is a chemical raw material in the organic chemicals category. Its molecular formula C10H18O2 comprises 10 C, 18 H, 2 O atoms. Its molecular weight is about 170.13 g/mol. Reported physicochemical data: boiling point around 191.00 to 193.00 °C. @ 760.00 mm Hg, LogP about 2.8. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number53398-83-7
Molecular FormulaC10H18O2
Molecular Weight170.13 g/mol
Boiling Point191.00 to 193.00 °C. @ 760.00 mm Hg
LogP2.8
Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)
Applications典型应用领域:食品增香, 日化。规格/纯度:以批次 COA 为准。包装:25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC(以订单确认为准)。储存:阴凉干燥, 密封保存
CategoryOrganic Chemicals|Flavors

Applications

Documented applications: 典型应用领域:食品增香, 日化。规格/纯度:以批次 COA 为准。包装:25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC(以订单确认为准)。储存:阴凉干燥, 密封保存.

Packaging & Storage

Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)

Technical Profile

What this product is

trans-2-hexenyl butyrate is a carbon-based organic compound with CAS registry number 53398-83-7 and molecular formula C10H18O2 (molecular weight 170.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 53398-83-7

Its molecular formula C10H18O2 comprises 10 C, 18 H, 2 O atoms.

Also known as: trans-2-hexenyl butyrate · 反式-2-己烯基丁酸酯

Category: organic chemicals / food flavors

Frequently Asked Questions

What is the CAS number of trans-2-hexenyl butyrate?

The CAS registry number of trans-2-hexenyl butyrate is 53398-83-7.

What is the molecular formula and molecular weight of trans-2-hexenyl butyrate?

Molecular formula C10H18O2, molecular weight 170.13 g/mol.

What other names is trans-2-hexenyl butyrate known by?

It is also registered under: trans-2-hexenyl butyrate, 反式-2-己烯基丁酸酯.

What are the documented applications of trans-2-hexenyl butyrate?

Recorded applications: 典型应用领域:食品增香, 日化。规格/纯度:以批次 COA 为准。包装:25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC(以订单确认为准)。储存:阴凉干燥, 密封保存.

Which category does trans-2-hexenyl butyrate belong to?

Category: Organic Chemicals / Flavors.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for trans-2-hexenyl butyrate (CAS 53398-83-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number53398-83-7
PubChem CID5352461
Molecular formulaC10H18O2
Molecular weight170.13 g/mol
IUPAC name[(E)-hex-2-enyl] butanoate
InChIKeyPCGACKLJNBBQGM-VOTSOKGWSA-N
UNII (FDA)Z60BMY964J
ChEBI IDCHEBI:180204
FEMA number3926
JECFA number1375

Computed descriptors

Molecular Weight170.25
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area26.3
Heavy Atom Count12

Physicochemical values on record

Boiling Point191.00 to 193.00 °C. @ 760.00 mm Hg
Boiling Point190 °C
Density0.882-0.888
Refractive Index1.429-1.435

Documented uses on record

    Used as flavoring agent or adjuvant; [FDA] Naturally occurs in food; [JECFA]Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    trans-2-Hexenyl butyrate; 53398-83-7; (E)-2-Hexenyl butyrate; [(E)-hex-2-enyl] butanoate; 2-Hexenyl butyrate, (2E)-; Butanoic acid, 2-hexenyl ester, (E)-; (E)-Hex-2-enyl butyrate; trans-2-hexenyl butanoate; Butanoic acid, (2E)-2-hexen-1-yl ester; Butanoic acid, (2E)-2-hexenyl ester; Z60BMY964J; EINECS 258-515-3; AI3-35967; FEMA NO. 3926; WE(6:1(2E)/4:0); DTXSID90886052

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary67.6% (92 / 136)

    GHS hazard classification

    GHS notification summary67.6% (92 / 136)
    Reported hazard statementsH315 (32.4%), H319 (32.4%), H335 (30.9%)

    This chemical does not meet GHS hazard criteria for 67.6% (92 of 136) of all reports.

    H315 (32.4%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    trans-2-hexenyl butyrate is identified by CAS 53398-83-7, molecular formula C10H18O2 and molecular weight 170.13 g/mol. UNII Z60BMY964J; ChEBI 180204; InChIKey PCGACKLJNBBQGM-VOTSOKGWSA-N. Boiling Point: 191.00 to 193.00 °C. @ 760.00 mm Hg; Boiling Point: 190 °C; Density: 0.882-0.888.

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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