1,3-Diisopropylbenzene - ≥85%(GC) , CAS No.99-62-7

CAS: 99-62-7 Cat. No.: D155006 Summenformel: C₁₂H₁₈ Molekulargewicht: 162.28 Beilstein Registry Number: 5(4)1125 EG-Nummer: 202-773-1

GRADE & PURITY ≥85%(GC)

Synonyms

NCGC00164041-03 | BRN 1905828 | meta-Diisopropylbenzene | NCGC00254476-01 | DTXCID006640 | Tox21_300362 | 1,3-di(propan-2-yl)benzene | W-109373 | 1,3-DIISOPROPYLBENZENE | 1,3-di-iso-propyl-benzene | 1,3-Diisopropyl-benzene | FT-0760730 | 1,3-dipropan-2-yl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

NCGC00164041-03 | BRN 1905828 | meta-Diisopropylbenzene | NCGC00254476-01 | DTXCID006640 | Tox21_300362 | 1,3-di(propan-2-yl)benzene | W-109373 | 1,3-DIISOPROPYLBENZENE | 1,3-di-iso-propyl-benzene | 1,3-Diisopropyl-benzene | FT-0760730 | 1,3-dipropan-2-yl

Spezifikationen & Reinheit

≥85%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥85%(GC)

Namen und Kennungen

• Pubchem Sid: 488180437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180437
• Kanonisches Lächeln: CC(C)C1=CC(=CC=C1)C(C)C
• IUPAC Name: 1,3-di(propan-2-yl)benzene
• InChIKey: UNEATYXSUBPPKP-UHFFFAOYSA-N
• INCHI: 1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
• Isomere SMILES: CC(C)C1=CC(=CC=C1)C(C)C
• RTECS: CZ6334000
• UN-Nummer: 3082
• Verpackungsgruppe: III
• Molekulargewicht: 162.28
• Beilstein: 5(4)1125
• Reaxy-Rn: 1905828
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905828&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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

Zugehörige Ziele (menschlich)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Zugehörige Ziele (nicht menschlich)

Xenopus laevis (337 Activities)

Explore this target

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

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4870-1.4910
• Flammpunkt (°F): 170°F
• Flammpunkt (°C): 76 °C
• Siedepunkt (°C): 204℃
• Schmelzpunkt (°C): -63℃
• Molekulargewicht: 162.270 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 162.141 Da
• Monoisotopic Mass: 162.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 110.000
• 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

Referenzen

1. Xiao-Na Zhu, Jie Li, Gao-Lin Qiu, Lin Wang, Chen Lu, Yi-Ge Guo, Ke-Xin Yang, Fang Cai, Tao Xu, Ti-Fei Yuan, Ji Hu.  (2023)  Propofol exerts anti-anhedonia effects via inhibiting the dopamine transporter.  NEURON,      [PMID:36917979] [10.1016/j.neuron.2023.02.017]

2. Zhao Yixin, Wang Mingliang, Wang Xi, Yi Chunwang, Su Shengpei.  (2022)  The influence of alkyl groups at ortho-position of amino group on the structure and properties of polyimides.  POLYMER BULLETIN,  80  (9): (9881-9897).  [PMID:] [10.1007/s00289-022-04537-z]

3. Jun He, Lining Yu, Xuebin Huang, Meiling Qi.  (2019)  Triptycene-based stationary phases for gas chromatographic separations of positional isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31000208] [10.1016/j.chroma.2019.04.018]

4. Xue Xiong, Meiling Qi.  (2018)  Hexagonal boron nitride stationary phase for gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30100014] [10.1016/j.chroma.2018.07.008]

Häufig gestellte Fragen

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

This product is supplied at ≥85% 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 99-62-7, the molecular formula is C12H18, and the molecular weight is 162.28 g/mol. InChIKey UNEATYXSUBPPKP-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.