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anisyl butyrate

CAS 6963-56-0C12H16O3MW 208.11 g/mol

anisyl butyrate (CAS 6963-56-0) — formula C12H16O3, molecular weight 208.11 g/mol; category organic chemicals.

Product Overview

CAS Number6963-56-0
Molecular FormulaC12H16O3
Molecular Weight208.11 g/mol
Boiling Point270.00 °C. @ 760.00 mm Hg
LogP3
CategoryOrganic Chemicals

Technical Profile

What this product is

anisyl butyrate is a carbon-based organic compound with CAS registry number 6963-56-0 and molecular formula C12H16O3 (molecular weight 208.11 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 6963-56-0

Its molecular formula C12H16O3 comprises 12 C, 16 H, 3 O atoms.

Also known as: anisyl butyrate · 丁酸茴香酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of anisyl butyrate?

The CAS registry number of anisyl butyrate is 6963-56-0.

What is the molecular formula and molecular weight of anisyl butyrate?

Molecular formula C12H16O3, molecular weight 208.11 g/mol.

What other names is anisyl butyrate known by?

It is also registered under: anisyl butyrate, 丁酸茴香酯.

Which category does anisyl butyrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for anisyl butyrate (CAS 6963-56-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number6963-56-0
PubChem CID243675
Molecular formulaC12H16O3
Molecular weight208.11 g/mol
IUPAC name(4-methoxyphenyl)methyl butanoate
InChIKeyMEPOOZLETHNMSR-UHFFFAOYSA-N
UNII (FDA)Z8T0G5UDPH
ChEBI IDCHEBI:173598
FEMA number2100
JECFA number875

Computed descriptors

Molecular Weight208.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area35.5
Heavy Atom Count15

Physicochemical values on record

Boiling Point270.00 °C. @ 760.00 mm Hg
Boiling Point270 °C
Density1.047-1.067
Refractive Index1.500-1.505

Documented uses on record

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

    Synonyms and trade names

    Anisyl butyrate; 6963-56-0; 4-Methoxybenzyl butyrate; Butyric acid, p-methoxybenzyl ester; Butanoic acid, (4-methoxyphenyl)methyl ester; p-Methoxybenzyl butyrate; Benzyl alcohol, p-methoxy-, butyrate; Methoxybenzyl butyrate, p-; FEMA No. 2100; Z8T0G5UDPH; Methoxybenzyl alcohol butyrate, p-; EINECS 230-163-5; NSC 53797; NSC-53797; ANISYL BUTYRATE [FHFI]; DTXSID2064523

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVOR ENHANCER, 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 summary100% (89 / 89)

    GHS hazard classification

    GHS notification summary100% (89 / 89)

    This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

    Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.

    What the public record says

    anisyl butyrate is identified by CAS 6963-56-0, molecular formula C12H16O3 and molecular weight 208.11 g/mol. UNII Z8T0G5UDPH; ChEBI 173598; InChIKey MEPOOZLETHNMSR-UHFFFAOYSA-N. Boiling Point: 270.00 °C. @ 760.00 mm Hg; Boiling Point: 270 °C; Density: 1.047-1.067.

    Physical description and handling notes

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

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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