cis-2-Methoxycinnamic Acid - ≥98% , CAS No.14737-91-8

CAS: 14737-91-8 Cat. No.: C153564 분자식: C₁₀H₁₀O₃ 분자량: 178.19 Beilstein Registry Number: 10292 EC 번호: 238-803-5

GRADE & PURITY ≥98%

Synonyms

NCGC00095523-02 | SDCCGMLS-0066551.P001 | CINNAMIC ACID, o-METHOXY-, (Z)- | NCGC00095523-01 | (Z)-o-Methoxycinnamic acid | (Z)-3-(2-Methoxyphenyl)acrylic acid | A808642 | Acide ortho-methoxycinnamique [French] | (2Z)-3-(2-METHOXYPHENYL)PROP-2-ENOIC ACID |

Storage

Room temperature,Desiccated

Shipped In

Normal

개요

Product Describtion:

cis-2-Methoxycinnamic acid is the major component of essential oil extracted from Cinnamomum cassia

Specifications

동의어

NCGC00095523-02 | SDCCGMLS-0066551.P001 | CINNAMIC ACID, o-METHOXY-, (Z)- | NCGC00095523-01 | (Z)-o-Methoxycinnamic acid | (Z)-3-(2-Methoxyphenyl)acrylic acid | A808642 | Acide ortho-methoxycinnamique [French] | (2Z)-3-(2-METHOXYPHENYL)PROP-2-ENOIC ACID |

사양 및 순도

≥98%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥98%

이름과 식별자

• 정식 스마일: COC1=CC=CC=C1C=CC(=O)O
• IUPAC Name: (Z)-3-(2-methoxyphenyl)prop-2-enoic acid
• InChIKey: FEGVSPGUHMGGBO-SREVYHEPSA-N
• INCHI: 1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6-
• 이성체 SMILES: COC1=CC=CC=C1/C=C\C(=O)O
• WGK 독일: 3
• RTECS: GD9720000
• 분자량: 178.19
• Beilstein: 10292
• Reaxy-Rn: 2209712
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives
        • Level5 Coumaric acids and derivatives
          • Level6 Coumaric acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Coumaric acids and derivatives
• Direct Parent: Coumaric acids
• Alternative Parents: Cinnamic acids Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Coumaric acid - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• 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

• 용해성: Soluble in Methanol
• 녹는점(°C): 94 °C
• 분자량: 178.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.063 Da
• Monoisotopic Mass: 178.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 198.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• 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. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 14737-91-8, the molecular formula is C10H10O3, and the molecular weight is 178.19 g/mol. InChIKey FEGVSPGUHMGGBO-SREVYHEPSA-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.