1-Cyclopropylethanol - ≥98% , CAS No.765-42-4

CAS: 765-42-4 Cat. No.: C153900 분자식: C₅H₁₀O 분자량: 86.13 EC 번호: 212-145-9

등급 & 순도 ≥98%

Synonyms

1-cyclopropylethan-1-ol | MFCD00043921 | 1-Cyclopropylethanol, 99% | AKOS000249010 | Cyclopropanemethanol, .alpha.-methyl- | a-methylcyclopropane methanol | EINECS 212-145-9 | FT-0607685 | 1-Cyclopropylethanol | STK328112 | AM804334 | a-methylcyclopropane

Storage

Room temperature

Shipped In

Normal

사양

동의어

1-cyclopropylethan-1-ol | MFCD00043921 | 1-Cyclopropylethanol, 99% | AKOS000249010 | Cyclopropanemethanol, .alpha.-methyl- | a-methylcyclopropane methanol | EINECS 212-145-9 | FT-0607685 | 1-Cyclopropylethanol | STK328112 | AM804334 | a-methylcyclopropane

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504755345

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755345

정식 스마일

CC(C1CC1)O

IUPAC Name

1-cyclopropylethanol

InChIKey

DKKVKJZXOBFLRY-UHFFFAOYSA-N

INCHI

1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3

이성체 SMILES

CC(C1CC1)O

WGK 독일

3

UN 번호

1987

포장 그룹

III

분자량

86.13

Reaxy-Rn

1839704

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1839704&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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: 1.4290 to 1.4320
• 발화점(°F): 98.6 °F
• 발화점(°C): 31°C
• 끓는점(°C): 122°C
• 분자량: 86.130 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 47.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1