Butyric anhydride - ≥98% , CAS No.106-31-0

CAS: 106-31-0 Cat. No.: B108974 Molecular Weight: 158.19 Beilstein Registry Number: 1099474 EC Number: 203-383-4

GRADE & PURITY ≥98%

Synonyms

Butyryl oxide | Butyranhydrid | n-Butanoic anhydride | Butanoic acid, 1,1'-anhydride | BUTYRIC ANHYDRIDE | Anhydrid kyseliny maselne | Butanoic anhydride | Butyric acid anhydride | Butanoic acid, anhydride | butanoyl butanoate | n-Butyric anhydride | n-Bu

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Application：

Butyric anhydride is used in the preparation of amidoamine dendron-based co-adsorbents, which finds application in dye- sensitized solar cells improvement. It is also used in the synthesis of butyrate ester, which is used as a perfume and flavor. Further, it acts as a fumigant to drive bees from their hives. In addition to this, it is used in food additives, textile auxiliaries, varnishes, perfumes, pharmaceuticals and disinfectants.

Specifications

Synonyms

Butyryl oxide | Butyranhydrid | n-Butanoic anhydride | Butanoic acid, 1, 1'-anhydride | BUTYRIC ANHYDRIDE | Anhydrid kyseliny maselne | Butanoic anhydride | Butyric acid anhydride | Butanoic acid, anhydride | butanoyl butanoate | n-Butyric anhydride | n-Bu

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751459
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751459
• Canonical Smiles: CCCC(=O)OC(=O)CCC
• IUPAC Name: butanoyl butanoate
• InChIKey: YHASWHZGWUONAO-UHFFFAOYSA-N
• INCHI: 1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3
• Isomeric SMILES: CCCC(=O)OC(=O)CCC
• WGK Germany: 3
• RTECS: ET7090000
• UN Number: 2739
• Packing Group: III
• Molecular Weight: 158.19
• Beilstein: 1099474
• Reaxy-Rn: 1099474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in ether.
• Sensitivity: Moisture Sensitive；Air sensitive
• Refractive Index: 1.412-1.414
• Flash Point(°F): 188.6 °F
• Flash Point(°C): 90℃
• Boil Point(°C): 199.4-201.4°C
• Melt Point(°C): -75°C
• Molecular Weight: 158.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 124.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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