n-Butyl acrylate - Standard for GC, ≥99.5%(GC), stabilized with 50 ppm MEHQ , CAS No.141-32-2

CAS: 141-32-2 Cat. No.: B100034 Formula: CH₂=CHCOOC₄H₉ Molecular Weight: 128.17 Beilstein Registry Number: 1749970 EC Number: 205-480-7

GRADE & PURITY Standard for GC, ≥99.5%(GC), stabilized with 50 ppm MEHQ

Synonyms

Acrylsaeurebutylester | Butyl Acrylate (stabilized with MEHQ) | CCRIS 3401 | n-Butyl propenoate | Butylester kyseliny akrylove [Czech] | STL280321 | n-Butyl acrylate | J-519959 | NSC 5163 | Butylester kyseliny akrylove | N-BUTYL ACRYLATE [MI] | UN2348 | C

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Acrylsaeurebutylester | Butyl Acrylate (stabilized with MEHQ) | CCRIS 3401 | n-Butyl propenoate | Butylester kyseliny akrylove [Czech] | STL280321 | n-Butyl acrylate | J-519959 | NSC 5163 | Butylester kyseliny akrylove | N-BUTYL ACRYLATE [MI] | UN2348 | C

Specifications & Purity

Standard for GC, ≥99.5%(GC), stabilized with 50 ppm MEHQ

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

Pubchem Sid

508811681

Canonical Smiles

CCCCOC(=O)C=C

IUPAC Name

butyl prop-2-enoate

InChIKey

CQEYYJKEWSMYFG-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3

Isomeric SMILES

CCCCOC(=O)C=C

WGK Germany

1

RTECS

UD3150000

UN Number

2348

Packing Group

III

Molecular Weight

128.17

Beilstein

1749970

Reaxy-Rn

1749970

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749970&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acid esters
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
• External Descriptors: acrylate ester

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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.417-1.419
• Flash Point(°F): 100.4 °F
• Flash Point(°C): 35-40℃
• Boil Point(°C): 145°C
• Melt Point(°C): -64°C
• Molecular Weight: 128.169 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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