4-Propyltoluene - ≥99%(GC) , CAS No.1074-55-1

CAS: 1074-55-1 Cat. No.: P160392 분자식: C₁₀H₁₄ 분자량: 134.22 Beilstein Registry Number: 5(4)1057 EC 번호: 214-044-5 PubChem CID: 14095

GRADE & PURITY ≥99%(GC)

Synonyms

4-Propyl-1-methylbenzene | p-n-Propyl toluene | UNII-37KHA4S4F0 | D92007 | P0749 | FT-0693871 | BS-22715 | EINECS 214-044-5 | NSC 73973 | Q27256684 | InChI=1/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H | NSC-73973 | P-METHYLPROPYLBENZENE | 1-Methyl-4

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

4-Propyl-1-methylbenzene | p-n-Propyl toluene | UNII-37KHA4S4F0 | D92007 | P0749 | FT-0693871 | BS-22715 | EINECS 214-044-5 | NSC 73973 | Q27256684 | InChI=1/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H | NSC-73973 | P-METHYLPROPYLBENZENE | 1-Methyl-4

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%(GC)

이름과 식별자

• Pubchem Sid: 488181939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181939
• 정식 스마일: CCCC1=CC=C(C=C1)C
• IUPAC Name: 1-methyl-4-propylbenzene
• InChIKey: JXFVMNFKABWTHD-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
• 이성체 SMILES: CCCC1=CC=C(C=C1)C
• PubChem CID: 14095
• UN 번호: 3295
• 포장 그룹: III
• 분자량: 134.22
• Beilstein: 5(4)1057
• Reaxy-Rn: 2038362

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

화학 및 물리적 특성

• 굴절률: 1.49
• 발화점(°C): 56 °C
• 끓는점(°C): 183°C(lit.)
• 분자량: 134.220 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 78.000
• 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

참고 문헌

1. Chengming Wu, Quan Wang, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong.  (2023)  Insight into the enhanced catalytic performance of phosphate-modified ZrO2/SBA-15 for the conversion of biobased 2,5-dimethylfuran and ethylene into p-xylene.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148031]

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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 1074-55-1, the molecular formula is C10H14, and the molecular weight is 134.22 g/mol. InChIKey JXFVMNFKABWTHD-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.