Ethyl p-anisate - ≥98% , CAS No.94-30-4

CAS: 94-30-4 Cat. No.: E189236 분자식: C₁₀H₁₂O₃ 분자량: 180.2 EC 번호: 202-320-8

GRADE & PURITY ≥98%

Synonyms

4-methoxy-benzoic acid ethyl ester | F1335-0003 | FEMA No. 2420 | KJ95H2S7NM | InChI=1/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H | AKOS003596810 | Ethyl p-anisate, >=97%, FCC | Ethyl4-methoxybenzoate | FT-0626224 | Ethyl 4-methoxybenzoate |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

4-methoxy-benzoic acid ethyl ester | F1335-0003 | FEMA No. 2420 | KJ95H2S7NM | InChI=1/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H | AKOS003596810 | Ethyl p-anisate, >=97%, FCC | Ethyl4-methoxybenzoate | FT-0626224 | Ethyl 4-methoxybenzoate |

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488183413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183413
• 정식 스마일: CCOC(=O)C1=CC=C(C=C1)OC
• IUPAC Name: ethyl 4-methoxybenzoate
• InChIKey: FHUODBDRWMIBQP-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
• 이성체 SMILES: CCOC(=O)C1=CC=C(C=C1)OC
• 분자량: 180.2
• Reaxy-Rn: 2209700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
• 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive
• 굴절률: 1.524
• 끓는점(°C): 263 °C
• 녹는점(°C): 7-8°C
• 분자량: 180.200 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 160.000
• 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. Zhao Gang, Zhou Xiao-tong, Li Fang-xu, Fu Guang-qin, Shang Xing-ke.  (2022)  Flotation performance of anisic hydroxamic acid as new collector for tungsten and tin minerals.  Journal of Central South University,  29  (11): (3645-3655).  [PMID:] [10.1007/s11771-022-5182-7]

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 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 94-30-4, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey FHUODBDRWMIBQP-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.