Efetaal - 10mM in DMSO , CAS No.2556-10-7

CAS: 2556-10-7 Cat. No.: E422889 분자식: C₁₂H₁₈O₂ 분자량: 194.27 EC 번호: 219-868-9

GRADE & PURITY 10mM in DMSO

Synonyms

CCG-266540 | FT-0698108 | EINECS 219-868-9 | QQDGMPOYFGNLMT-UHFFFAOYSA- | AC-34215 | Acetaldehyde ethyl 2-phenylethyl acetal | BRN 2364509 | Acetaldehyde, ethyl phenethyl acetal | Ethanal, ethyl phenylethyl acetal | InChI=1/C12H18O2/c1-3-13-11(2)14-10-9-1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Efetaal has a fresh floral hyacinth note with a suggestion of muguet and green leaves.

Specifications

동의어

CCG-266540 | FT-0698108 | EINECS 219-868-9 | QQDGMPOYFGNLMT-UHFFFAOYSA- | AC-34215 | Acetaldehyde ethyl 2-phenylethyl acetal | BRN 2364509 | Acetaldehyde, ethyl phenethyl acetal | Ethanal, ethyl phenylethyl acetal | InChI=1/C12H18O2/c1-3-13-11(2)14-10-9-1

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Efetaal has a fresh floral hyacinth note with a suggestion of muguet and green leaves.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

2.333

hba_count

2

회전 가능한 결합

6

이름과 식별자

Pubchem Sid

528771179

정식 스마일

CCOC(C)OCCC1=CC=CC=C1

IUPAC Name

2-(1-ethoxyethoxy)ethylbenzene

InChIKey

QQDGMPOYFGNLMT-UHFFFAOYSA-N

INCHI

1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

이성체 SMILES

CCOC(C)OCCC1=CC=CC=C1

분자량

194.27

Reaxy-Rn

2364509

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2364509&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• 분자량: 194.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 194.131 Da
• Monoisotopic Mass: 194.131 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 130.000
• 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