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[2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol is a synthetic organic compound belonging to the phenol class. It is a benzyl alcohol derivative with a benzyl group substituted with hydroxy and methyl groups, known for its aromatic properties and functional groups that make it versatile in various applications.

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  • 3594-91-0 Structure
  • Basic information

    1. Product Name: [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol
    2. Synonyms: [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol
    3. CAS NO:3594-91-0
    4. Molecular Formula: C16H18O2
    5. Molecular Weight: 0
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3594-91-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 419 °C at 760 mmHg
    3. Flash Point: 199.3 °C
    4. Appearance: /
    5. Density: 1.127 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol(CAS DataBase Reference)
    10. NIST Chemistry Reference: [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol(3594-91-0)
    11. EPA Substance Registry System: [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol(3594-91-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3594-91-0(Hazardous Substances Data)

3594-91-0 Usage

Uses

Used in Pharmaceutical Industry:
[2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol is used as an intermediate for the production of various pharmaceuticals due to its functional groups and aromatic properties, which contribute to the development of new drugs with potential therapeutic applications.
Used in Dye Industry:
In the dye industry, [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol is used as a building block for creating new compounds with specific color properties, leveraging its aromatic characteristics to enhance the quality and variety of dyes available.
Used in Fragrance Industry:
[2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol is used as a component in the synthesis of fragrances, capitalizing on its aromatic properties to create unique and appealing scents for the perfume and cosmetic industries.
Used in Chemical Research:
As an intermediate in organic synthesis, [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol is used in chemical research to develop new compounds with potential applications in various industries, including pharmaceuticals and materials science. Its structure allows for further modification and exploration of its properties and reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 3594-91-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,5,9 and 4 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 3594-91:
(6*3)+(5*5)+(4*9)+(3*4)+(2*9)+(1*1)=110
110 % 10 = 0
So 3594-91-0 is a valid CAS Registry Number.

3594-91-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name [2-[2-(hydroxymethyl)-6-methylphenyl]-3-methylphenyl]methanol

1.2 Other means of identification

Product number -
Other names 6,6'-dimethyl-2,2'-dihydroxymethylbiphenyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3594-91-0 SDS

3594-91-0Relevant articles and documents

New biphenyl iminium salt catalysts for highly enantioselective asymmetric epoxidation: Role of additional substitution and dihedral angle

Bulman Page, Philip C.,Bartlett, Christopher J.,Chan, Yohan,Allin, Steven M.,McKenzie, Michael J.,Lacour, Jér?me,Jones, Garth A.

, p. 4220 - 4232 (2016/05/24)

New biaryl iminium salt catalysts for enantioselective alkene epoxidation containing additional substitution in the heterocyclic ring are reported. The effects upon conformation and enantioselectivity of this additional substitution, and the influence of dihedral angle in these systems, has been investigated using a synthetic approach supported by density functional theory. Enantioselectivities of up to 97% ee were observed.

Synthesis, Resolution, and Applications of 1,16-Dihydroxytetraphenylene as a Novel Building Block in Molecular Recognition and Assembly

Wen, Jian-Feng,Hong, Wei,Yuan, Ke,Mak, Thomas C. W.,Wong, Henry N. C.

, p. 8918 - 8931 (2007/10/03)

This paper concerns the synthesis of 1,16-dihydroxytetraphenylene (DHTP) (2) by employing a novel NBS bromination route. (±)-DHTP 2 was successfully resolved into its optical antipodes and converted to (±)-1,16-bis(diphenylphosphino)tetraphenylene (BPTP) (26), whose platinum complex BPTP-PtCl2 (27) was also obtained. As a hydrogen bond donor, racemic and optically active DHTP 2 was allowed to assemble with 4,4′-bipyridine to form single crystals of good quality. X-ray Diffraction studies of these crystals revealed that the crystallographic packing of the hydrogen bonded complex between (±)-2 and 4,4′-bipyridine was different from the one formed from (S)-2 and 4,4′-bipyridine. It was found that an infinite zigzag chain with alternate chirality was formed in the assembly of (±)-2 and 4,4′-bipyridine, while (S)-2 and 4,4′-bipyridine failed to show the same assembly pattern. The reason (±)-2 formed an alternate and zigzag chain with 4,4′-bipyridine was most likely due to the inherent stability of this supramolecular assembly. The chiral recognition between 2 and optically active BINAP under the direction of platinum(II) has also been examined. 1H and 31P NMR spectroscopic studies demonstrated that there was an obvious discrimination of 2 between the enantiomers of BINAP-PtCO3.

New, axially chiral, bimetallic catalysts for asymmetric alkylation of aldehydes with diethylzinc

Keller, Felix,Rippert, Andreas Johannes

, p. 125 - 137 (2007/10/03)

Axially chiral bis(salicylidene)ethylenediamine (H2salen)-type ligands 3 (cf. Schemes 1 and 3) are efficient ligands for the enantioselective addition of diethylzinc to aldehydes. There is ample evidence that an active bimetallic catalyst forms an effective chiral pocket (see Fig. 2); of a series of first-row transition-metal complexes with these ligands, the most stereoselective were the Co(II) complexes (see Fig. 1). Best ee values as well as the fastest rates (see Tables 2 and 3) were obtained with these Co(II) complexes when an EtO substituent was present at C(3) of the salicylaldehyde residues of ligand 3 (R1 = EtO), i.e., complex [Co(II)(3'h)] produce d up to 93% ee with aromatic aldehydes and 78% ee for aliphatic aldehydes (see Table 4).

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