Stearic acid-1-¹³C - ≥99 atom% 13C,≥98% , CAS No.85541-42-0

CAS: 85541-42-0 Cat. No.: S473979 분자식: CH₃(CH₂)₁₆¹³CO₂H 분자량: 285.47 EC 번호: 693-109-3

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

Octadecanoicacid-1-13c | starbld0016661 | Octadecanoic acid-1-13C | Stearic acid-1-13C, 99 atom % 13C | DTXSID70583512 | (1-~13~C)Octadecanoic acid | Stearic acid-1-13C | SCHEMBL1331390 | (113C)octadecanoic acid | HY-B2219S | AKOS030243052 | Stearic Acid-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Stearic acid-1-13C is the 13C labeled Stearic acid. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils.

Specifications

동의어

Octadecanoicacid-1-13c | starbld0016661 | Octadecanoic acid-1-13C | Stearic acid-1-13C, 99 atom % 13C | DTXSID70583512 | (1-~13~C)Octadecanoic acid | Stearic acid-1-13C | SCHEMBL1331390 | (113C)octadecanoic acid | HY-B2219S | AKOS030243052 | Stearic Acid-

사양 및 순도

≥99 atom% 13C,≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99 atom% 13C,≥98%

이름과 식별자

• 정식 스마일: CCCCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: (113C)octadecanoic acid
• InChIKey: QIQXTHQIDYTFRH-CPZJZEHKSA-N
• INCHI: 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i18+1
• 이성체 SMILES: CCCCCCCCCCCCCCCCC[13C](=O)O
• WGK 독일: 3
• 대체 CAS: 57-11-4(unlabelled)
• 분자량: 285.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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

• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 361 °C (lit.)
• 녹는점(°C): 68-70 °C (lit.)
• 분자량: 285.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 285.275 Da
• Monoisotopic Mass: 285.275 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 1
• 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