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pivalyloxymethyl butyrate

CAS 122110-53-6C10H18O4MW 202.25

pivalyloxymethyl butyrate (CAS 122110-53-6) — formula C10H18O4, molecular weight 202.25; category organic chemicals.

Product Overview

CAS Number122110-53-6
Molecular FormulaC10H18O4
Molecular Weight202.25
LogP2.3
CategoryOrganic Chemicals

Technical Profile

What this product is

pivalyloxymethyl butyrate is a carbon-based organic compound with CAS registry number 122110-53-6 and molecular formula C10H18O4 (molecular weight 202.25), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 122110-53-6

Its molecular formula C10H18O4 comprises 10 C, 18 H, 4 O atoms.

Also known as: pivalyloxymethyl butyrate · 新戊酰氧基甲基丁酸酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of pivalyloxymethyl butyrate?

The CAS registry number of pivalyloxymethyl butyrate is 122110-53-6.

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

Molecular formula C10H18O4, molecular weight 202.25.

What other names is pivalyloxymethyl butyrate known by?

It is also registered under: pivalyloxymethyl butyrate, 新戊酰氧基甲基丁酸酯.

Which category does pivalyloxymethyl butyrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for pivalyloxymethyl butyrate (CAS 122110-53-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number122110-53-6
PubChem CID60748
Molecular formulaC10H18O4
IUPAC namebutanoyloxymethyl 2,2-dimethylpropanoate
UNII (FDA)55VNK5440P

Computed descriptors

Molecular Weight202.25
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area52.6
Heavy Atom Count14

Documented uses on record

  • Investigated for use/treatment in liver cancer, lung cancer, melanoma, and leukemia (lymphoid).
  • Pivaloyloxymethyl butyrate is a histone deacetylase inhibitor analog of butyric acid that causes apoptosis of cancer cells through signaling cellular differentiation. It is rapidly and extensively transported intracellularly because of its high lipophilicity, where it undergoes esterase-mediated hydrolysis to form pivalic acid, formaldehyde, and BA.

Synonyms and trade names

Pivalyloxymethyl butyrate; RefChem:929363; Pivanex; 122110-53-6; AN-9; (PIVALOYLOXY)METHYL BUTYRATE; Pivaloyloxymethyl butyrate; AN 9; Butanoic acid,(2,2-dimethyl-1-oxopropoxy)methyl ester; 37380-45-3; pivaloyloxymethylbutyrate; AN 9 (ion exchanger); butanoyloxymethyl 2,2-dimethylpropanoate; MFCD00209896; UNII-55VNK5440P; BRN 4861411

What the public record says

pivalyloxymethyl butyrate · CAS 122110-53-6 · C10H18O4. UNII 55VNK5440P.

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

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 新戊酰氧基甲基丁酸酯

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