Dipentyl phthalate - ≥98% , CAS No.131-18-0

CAS: 131-18-0 Cat. No.: D103089 분자식: C₁₈H₂₆O₄ 분자량: 306.4 Beilstein Registry Number: 1987323 EC 번호: 205-017-9

등급 & 순도 ≥98%

Synonyms

1,2-dipentyl benzene-1,2-dicarboxylate | DIAMYL PHTHALATE [HSDB] | Dipentyl phthalate, Selectophore(TM), >=99.0% | (1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N-HYDROXYETHANIMIDAMIDE | EN300-1073404 | NCGC00259069-01 | DTXSID5031131 | Q27116218 | NCGC00090765-02 | AI3-

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

개요

Dipentyl phthalate (DPeP) belongs to phthalate group, and is a dialkyl or aryl/alkyl diesters of phthalic acid. It may be prepared from phthalic anhydride along with n-pentanol.

사양

동의어

1,2-dipentyl benzene-1,2-dicarboxylate | DIAMYL PHTHALATE [HSDB] | Dipentyl phthalate, Selectophore(TM), >=99.0% | (1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N-HYDROXYETHANIMIDAMIDE | EN300-1073404 | NCGC00259069-01 | DTXSID5031131 | Q27116218 | NCGC00090765-02 | AI3-

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged,Desiccated

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504751701

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751701

정식 스마일

CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC

IUPAC Name

dipentyl benzene-1,2-dicarboxylate

InChIKey

IPKKHRVROFYTEK-UHFFFAOYSA-N

INCHI

1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3

이성체 SMILES

CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC

WGK 독일

3

RTECS

TI1930000

UN 번호

3082

포장 그룹

III

분자량

306.4

Beilstein

1987323

Reaxy-Rn

1987323

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1987323&ln=

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 Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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: Phthalates

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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

관련 대상(비인간)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Not miscible or difficult to mix in water.
• 감도: Moisture sensitive
• 굴절률: 1.49
• 발화점(°F): 118℃
• 발화점(°C): 118℃
• 끓는점(°C): 342°C
• 녹는점(°C): -55°C
• 분자량: 306.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 306.183 Da
• Monoisotopic Mass: 306.183 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 295.000
• 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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 131-18-0, the molecular formula is C18H26O4, and the molecular weight is 306.4 g/mol. InChIKey IPKKHRVROFYTEK-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.