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Name	2,6-Bis(hydroxymethyl)-p-cresol	EINECS	202-036-4
CAS No.	91-04-3	Density	1.276 g/cm³
PSA	60.69000	LogP	0.68520
Solubility	N/A	Melting Point	128-130 ºC
Formula	C9H12 O3	Boiling Point	333.3 °C at 760 mmHg
Molecular Weight	168.192	Flash Point	166.1 °C
Transport Information	N/A	Appearance	light pink crystalline powder
Safety	Moderately toxic by parenteral routes. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols
Synonyms	a1,a3-Mesitylenediol,2-hydroxy- (6CI,7CI,8CI); 2,6-Bis(hydroxymethyl)-4-methylphenol;2,6-Bis(hydroxymethyl)-p-cresol; 2,6-Di(hydroxymethyl)-p-cresol;2,6-Dimethylol-4-methylphenol; 2,6-Dimethylol-p-cresol;2-Hydroxy-5-methyl-1,3-benzenedimethanol;4-Methyl-2,6-bis(hydroxymethyl)phenol; DML-PC; NSC 15838; a1,a3,2-Trihydroxymesitylene	Article Data	40

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

Molecular Structure of 3,5-Bis(hydroxymethyl)-p-cresol (CAS NO.91-04-3):

EINECS: 202-036-4
IUPAC Name: 2,6-Bis(hydroxymethyl)-4-methylphenol
Molecular Formula: C₉H₁₂O₃
Molecular Weight: 168.189780 g/mol
XLogP3-AA: 0.7
H-Bond Donor: 3
H-Bond Acceptor: 3
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
InChIKey: KUMMBDBTERQYCG-UHFFFAOYSA-N
Index of Refraction: 1.612
Molar Refractivity: 45.86 cm³
Molar Volume: 131.7 cm³
Surface Tension: 60.1 dyne/cm
Density: 1.276 g/cm³
Flash Point: 166.1 °C
Enthalpy of Vaporization: 60.81 kJ/mol
Boiling Point: 333.3 °C at 760 mmHg
Vapour Pressure: 5.48E-05 mmHg at 25 °C
Melting Point: 128-130 °C(lit.)
Water Solubility: 6.887e+004 mg/L at 25 °C
BRN: 1240237

2,6-Bis(hydroxymethyl)-p-cresol Toxicity Data With Reference

par-frg LDLo:1250 mg/kg

JPETAB Journal of Pharmacology and Experimental Therapeutics. 26 (1926),123.

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

Reported in EPA TSCA Inventory.

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

Safety Information of 3,5-Bis(hydroxymethyl)-p-cresol (CAS NO.91-04-3):
Hazard Codes: Xi
Hazard Note: Irritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39:Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: CZ6440000
Moderately toxic by parenteral routes. When heated to decomposition it emits acrid smoke and irritating vapors.

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

3,5-Bis(hydroxymethyl)-p-cresol with CAS registry number of 91-04-3 is yellow-brown - brown crystalline powder. It is incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides. When heated to decomposition, it yields Carbon monoxide , Carbon dioxide . 3,5-Bis(hydroxymethyl)-p-cresol is also known as 2,6-Bis(hydroxymethyl)-4-methylphenol ; 2,6-Bis(hydroxymethyl)-p-cresol ; 2,6-Di(hydroxymethyl)-p-cresol ; 2,6-Dimethylol-4-methylphenol ; 2,6-Dimethylol-p-cresol ; 2-Hydroxy-5-methyl-1,3-benzenedimethanol ; 4-06-00-07411 (Beilstein Handbook Reference) ; NSC 15838 ; alpha(sup 1),alpha(sup 3),2-Trihydroxymesitylene ; alpha1,alpha,2-Trihydroxymesitylene ; 1,3-Benzenedimethanol, 2-hydroxy-5-methyl- ; alpha(sup 1),alpha(sup 3)-Mesitylenediol, 2-hydroxy- (7CI,8CI) ; alpha1,alpha3-Mesitylenediol, 2-hydroxy- (8CI) .

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