2,6-Bis(hydroxymethyl)-p-cresol

CAS
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CAS
91-04-3
Size
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Purity
98.0%(GC)
Price
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Availability
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Catalog Number

ACM-MO-91043

Product Name

2,6-Bis(hydroxymethyl)-p-cresol

Structure

Structure

CAS

91-04-3

Category

Heterocyclic Organic Compound

Synonyms

2,6-Bis(hydroxymethyl)-4-methylphenol;
2,6-Dimethylol-p-cresol

IUPAC Name

2,6-bis(hydroxymethyl)-4-methylphenol

Molecular Weight

168.19 g/mol

Molecular Formula

C9H12O3

Canonical SMILES

CC1=CC(=C(C(=C1)CO)O)CO

InChI

InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3

InChI Key

KUMMBDBTERQYCG-UHFFFAOYSA-N

Melting Point

126 °C

Appearance

White to Yellow to Orange Powder to Crystal

Complexity

124

Covalently-Bonded Unit Count

1

EC Number

202-036-4

Exact Mass

168.078644g/mol

Formal Charge

0

H-Bond Acceptor

3

H-Bond Donor

3

Heavy Atom Count

12

Monoisotopic Mass

168.078644g/mol

NSC Number

15838

Physical State

Solid

Rotatable Bond Count

2

UNII

Q99HT08S5N

XLogP3

0.7

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2,6-Bis(hydroxymethyl)-p-cresol?

The molecular formula is C9H12O3.

What is the molecular weight of 2,6-Bis(hydroxymethyl)-p-cresol?

The molecular weight is 168.19 g/mol.

What is the IUPAC name of 2,6-Bis(hydroxymethyl)-p-cresol?

The IUPAC name is 2,6-bis(hydroxymethyl)-4-methylphenol.

What is the InChI of 2,6-Bis(hydroxymethyl)-p-cresol?

The InChI is InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3.

What is the InChIKey of 2,6-Bis(hydroxymethyl)-p-cresol?

The InChIKey is KUMMBDBTERQYCG-UHFFFAOYSA-N.

What is the canonical SMILES of 2,6-Bis(hydroxymethyl)-p-cresol?

The canonical SMILES is CC1=CC(=C(C(=C1)CO)O)CO.

What is the CAS number of 2,6-Bis(hydroxymethyl)-p-cresol?

The CAS number is 91-04-3.

What is the XLogP3-AA value of 2,6-Bis(hydroxymethyl)-p-cresol?

The XLogP3-AA value is 0.7.

What is the hydrogen bond donor count of 2,6-Bis(hydroxymethyl)-p-cresol?

The hydrogen bond donor count is 3.

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