Propyl Benzoate - ≥99%(GC) , CAS No.2315-68-6

CAS: 2315-68-6 Cat. No.: P160151 분자식: C₁₀H₁₂O₂ 분자량: 164.2 Beilstein Registry Number: 9(3)389 EC 번호: 219-020-8 PubChem CID: 16846

등급 & 순도 ≥99%(GC)

Synonyms

EN300-7794258 | J-015014 | NCGC00159383-03 | NCGC00159383-04 | NCGC00159383-02 | AI3-01973 | n-propyl benzenecarboxylate | NSC 229333 | Benzoic acid, propyl ester | EINECS 219-020-8 | UNII-VWK210B7WS | VWK210B7WS | Benzoic acid-propyl ester | B0076 | CAS-

Storage

Room temperature

Shipped In

Normal

개요

The adsorption data of propyl benzoate was obtained by frontal analysis on a symmetry-C18 column by a mixture of methanol and water as the mobile phase.

사양

동의어

EN300-7794258 | J-015014 | NCGC00159383-03 | NCGC00159383-04 | NCGC00159383-02 | AI3-01973 | n-propyl benzenecarboxylate | NSC 229333 | Benzoic acid, propyl ester | EINECS 219-020-8 | UNII-VWK210B7WS | VWK210B7WS | Benzoic acid-propyl ester | B0076 | CAS-

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

488182303

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182303

정식 스마일

CCCOC(=O)C1=CC=CC=C1

IUPAC Name

propyl benzoate

InChIKey

UDEWPOVQBGFNGE-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

이성체 SMILES

CCCOC(=O)C1=CC=CC=C1

WGK 독일

3

PubChem CID

16846

분자량

164.2

Beilstein

9(3)389

Reaxy-Rn

1863771

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

관련 대상(인간)

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.5
• 발화점(°F): 208.4 °F
• 발화점(°C): 112°C(lit.)
• 끓는점(°C): 230°C
• 녹는점(°C): -52°C
• 분자량: 164.200 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 137.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2315-68-6, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey UDEWPOVQBGFNGE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.