2-Hydroxyindan - ≥98%(GC) , CAS No.4254-29-9

CAS: 4254-29-9 Cat. No.: H157338 Formula: C₉H₁₀O Molecular Weight: 134.18 EC Number: 224-230-8

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 224-230-8 | MFCD00003800 | 2-Indanol | 2-Indanol, 99% | 2,3-dihydro-1H-inden-2-ol | EN300-109234 | 4-fluoro-a-methylbenzyl alcohol | SY033139 | 2-Hydroxyindan | EINECS 216-152-8 | STR07439 | UNII-B77NA7SM29 | O10574 | NSC17485 | NSC-17485 | PS-4727

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Indanol is stabilized by internal hydrogen bonding in its most stable form. The resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy of 2-indanol was studied.

Specifications

Synonyms

EINECS 224-230-8 | MFCD00003800 | 2-Indanol | 2-Indanol, 99% | 2,3-dihydro-1H-inden-2-ol | EN300-109234 | 4-fluoro-a-methylbenzyl alcohol | SY033139 | 2-Hydroxyindan | EINECS 216-152-8 | STR07439 | UNII-B77NA7SM29 | O10574 | NSC17485 | NSC-17485 | PS-4727

Specifications & Purity

≥98%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488185486

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185486

Canonical Smiles

C1C(CC2=CC=CC=C21)O

IUPAC Name

2,3-dihydro-1H-inden-2-ol

InChIKey

KMGCKSAIIHOKCX-UHFFFAOYSA-N

INCHI

1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2

Isomeric SMILES

C1C(CC2=CC=CC=C21)O

WGK Germany

3

Molecular Weight

134.18

Reaxy-Rn

1862567

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862567&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Boil Point(°C): 120°C/12mmHg
• Melt Point(°C): 68-71°C
• Molecular Weight: 134.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4254-29-9, the molecular formula is C9H10O, and the molecular weight is 134.18 g/mol. InChIKey KMGCKSAIIHOKCX-UHFFFAOYSA-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.