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

Names

[ CAS No. ]:
91-04-3

[ Name ]:
2,6-Bis(hydroxymethyl)-p-cresol

[Synonym ]:
2,6-di(hydroxymethyl)-4-methylphenol
EINECS 202-036-4
MFCD00004619
2,6-Bis(hydroxymethyl)-4-methylphenol
2,6-Bis(hydroxymethyl)-p-cresol
1,3-Benzenedimethanol, 2-hydroxy-5-methyl-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
333.3±11.0 °C at 760 mmHg

[ Melting Point ]:
128-130 °C(lit.)

[ Molecular Formula ]:
C₉H₁₂O₃

[ Molecular Weight ]:
168.190

[ Flash Point ]:
166.1±13.9 °C

[ Exact Mass ]:
168.078644

[ PSA ]:
60.69000

[ LogP ]:
-0.43

[ Vapour density ]:
5.8 (vs air)

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.613

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ6440000

CHEMICAL NAME :: 1,3-Benzenedimethanol, 2-hydroxy-5-methyl-

CAS REGISTRY NUMBER :: 91-04-3

BEILSTEIN REFERENCE NO. :: 1240237

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H12-O3

MOLECULAR WEIGHT :: 168.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 1250 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 26,123,1926

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CZ6440000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Formaldehyde
p-Cresol
o-cresol
2-hydroxy-5-methyl-3-thiocyanatomethyl-benzyl alcohol
Acetone

DownStream

Trisphenol
(2,2,6-trimethyl-4H-1,3-benzodioxin-8-yl)methanol
Benzaldehyde, 3-(chloromethyl)-2-hydroxy-5-methyl- (9CI)
2,6-BIS(CHLOROMETHYL)-4-TOLYL ACETATE
2,4,6-Trimethylphenol
6,6'-methylenedi-2,4-xylenol
p-Cresol
2,4-xylenol
2,6-diformyl-4-methylphenol
2,6-Dinitro-p-cresol

Articles

Single crystal-to-single crystal irreversible transformation from a discrete vanadium(V)-alcoholate to an aldehydic-vanadium(IV) oligomer.

J. Am. Chem. Soc. 132(45) , 15842-5, (2010)

An unprecedented single crystal-to-single crystal transformation occurs when a binuclear oxovanadium(V) compound [V(V)(2)O(2)(L)(2)] 1 involving 2,6-bis(hydroxymethyl)-p-cresol (H(3)L) as a bridging l...

2,6-bis(1-phenylethyl)-p-cresol
2,6-bis(1-methylpropyl)-p-cresol
2,6-Bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
2,6-BIS(1,1-DIMETHYLPROPYL)-4-METHYLPHENOL
2,6-bis(hydroxymethyl)heptane-1,7-diol
2,6-bis(hydroxymethyl)-4-methylpyridine
1-Benzyl-4-bromopyrazole-5-boronic acid, pinacol ester
2-Fluoro-5-(4-methyl-1-piperidinylcarbonyl)phenylboronic acid
2-[(1-Ethyl-6,7-dimethoxyisoquinolin-4-YL)methyl]quinolin-8-OL
Ethyl 4-(pyridin-4-ylmethyl)piperidine-4-carboxylate
3-(5-Chloro-2-nitrophenyl)propanenitrile
2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazol-3-one
2(1H)-Quinoxalinone, 1-[(6-hydrazinyl-2-pyridinyl)methyl]-
octahydro-1H-pyrazino[1,2-a]piperazine-3,4-dione
ethyl 3-(1-methyl-1H-indazol-5-yl)-3-oxopropanoate
Ethyl 4-(piperidin-3-yl)-1,3-thiazole-2-carboxylate

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