1-Methoxy-2-propanol(PGME) - Standard for GC, ≥99.5% , CAS No.107-98-2

CAS: 107-98-2 Cat. No.: M105266 분자식: C₄H₁₀O₂ 분자량: 90.12 Beilstein Registry Number: 1(4)2471 EC 번호: 203-539-1

GRADE & PURITY Standard for GC, ≥99.5%

Synonyms

1-Methoxy-2-hydroxypropane | CAS-107-98-2 | E72455 | FT-0608005 | (+/-)-1-methoxy-2-propanol | (+/-)2-methoxy-1-methylethanol | 1,2-PROPYLENE GLYCOL 1-MONOMETHYL ETHER | M0126 | Ucar solvent lm | AI3-15573 | EINECS 203-539-1 | 1-Methoxypropan-2-ol | Metho

Storage

Room temperature

Shipped In

Normal

개요

A glycol ether and a good biological indicator of exposure.

Specifications

동의어

1-Methoxy-2-hydroxypropane | CAS-107-98-2 | E72455 | FT-0608005 | (+/-)-1-methoxy-2-propanol | (+/-)2-methoxy-1-methylethanol | 1,2-PROPYLENE GLYCOL 1-MONOMETHYL ETHER | M0126 | Ucar solvent lm | AI3-15573 | EINECS 203-539-1 | 1-Methoxypropan-2-ol | Metho

사양 및 순도

Standard for GC, ≥99.5%

보관 조건

Room temperature

배송

Normal

등급

Standard for GC

순수함

≥99.5%

이름과 식별자

Pubchem Sid

508811659

정식 스마일

CC(COC)O

IUPAC Name

1-methoxypropan-2-ol

InChIKey

ARXJGSRGQADJSQ-UHFFFAOYSA-N

INCHI

1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3

이성체 SMILES

CC(COC)O

RTECS

UB7700000

UN 번호

3092

포장 그룹

III

분자량

90.12

Beilstein

1(4)2471

Reaxy-Rn

1718942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718942&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: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic 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

• 용해성: Strong solubility, low toxicity, and can be miscible with water and various organic solvents; Strong coupling properties; Low surface tension; Low viscosity; High evaporation rate.
• 감도: Hygroscopic
• 굴절률: 1.4
• 발화점(°C): 34 °C
• 끓는점(°C): 118-120 °C(lit.)
• 녹는점(°C): -97℃
• 분자량: 90.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.0681 Da
• Monoisotopic Mass: 90.0681 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• 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