AG00330U

91-04-3 | 2,6-Bis(hydroxymethyl)-p-cresol

AG00330U

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CAS Number	91-04-3
Catalog Number	AG00330U(AGN-PC-0JK7VO)
Chemical Name	2,6-Bis(hydroxymethyl)-p-cresol
EC Number	202-036-4
IUPAC Name	2,6-bis(hydroxymethyl)-4-methylphenol
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
MDL Number	MFCD00004619
Molecular Formula	C9H12O3
Molecular Weight	168.1898
NSC Number	15838
SMILES	OCC1=CC(=CC(=C1O)CO)C
UNII	Q99HT08S5N
Synonyms	91-04-3, 2,6-Bis(hydroxymethyl)-p-cresol, 2,6-Bis(hydroxymethyl)-4-methylphenol, 2,6-Dimethylol-p-cresol, (2-Hydroxy-5-methyl-1,3-phenylene)dimethanol, 2,6-Dimethylol-4-methylphenol, 2,6-Di(hydroxymethyl)-p-cresol, 1,3-BENZENEDIMETHANOL, 2-HYDROXY-5-METHYL-, 2-Hydroxy-5-methyl-1,3-benzenedimethanol, NSC 15838, 3,5-Bis(hydroxymethyl)-p-cresol, alpha1,alpha,2-Trihydroxymesitylene, EINECS 202-036-4, 2,6-Di(hydroxymethyl)-4-methylphenol, BRN 1240237, UNII-Q99HT08S5N, Q99HT08S5N, KUMMBDBTERQYCG-UHFFFAOYSA-N, alpha(sup 1),alpha(sup 3),2-Trihydroxymesitylene, MFCD00004619, 4-Methyl-2,6-bis(hydroxymethyl)-phenol, .alpha.1,.alpha.3-Mesitylenediol, 2-hydroxy-, AE-562/40177794, J-500821, W-204257, alpha(sup 1),alpha(sup 3)-Mesitylenediol, 2-hydroxy- (7CI,8CI), 2,6-bis-(hydroxymethyl)-p-cresol, NSC15838, rarechem al bd 0246, .alpha.1, 2-hydroxy-, AC1L1NV7, 1, 2-hydroxy-5-methyl-, Oprea1_724006, Oprea1_756581, 4-06-00-07411 (Beilstein Handbook Reference), SCHEMBL187792, DTXSID2059017, .alpha.1,2-Trihydroxymesitylene, CTK3J6758, 2,6-Bis(hydroxymethyl)-p-kresol, 2,6-Bis(hydroxylmethyl)-p-cresol, KUC106807N, ZINC157908, 2,6-bis(hydroxy-methyl)-p-cresol, ACMC-209787, KS-00000VV8, ZX-AT004548, ANW-13637, NSC-15838, SBB038182, STK394976, AKOS000268430, FCH1114302, MCULE-4967617963, OR22124, PS-4205, RP02564, RTR-028547, 2-hydroxy-5-methyl-3-benzenedimethanol, 2,6-bis(hydroxymethyl)-4-methyl phenol, 2,6-bis(hydroxymethyl)-4-methyl-phenol, 2,6-Bis(hydroxymethyl)-p-cresol, 95%, AJ-15127, alpha1,alpha3-Mesitylenediol, 2-hydroxy-, AN-24204, BC642427, CC-07928, LS-29868, ZB006795, 3-benzenedimethanol,2-hydroxy-5-methyl-1, KSC-11-237-11, .alpha.1,.alpha.3, 2-Trihydroxymesitylene, AX8067966, DB-010995, ST2414189, TR-028547, FT-0610515, ST45025548, Y4657, Adimethyl1,adimethyl3-mesityllenediol, 2-hydroxy-, alpha1,alpha3-Mesitylenediol, 2-hydroxy- (8CI), C-35227, F1244-0104, InChI=1/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H, C9H12O3, CID7039, C9-H12-O3, ACN-054162, B1525, 2,6-Bis(hydroxymethyl)-4-cresol, 98% - 100G 100g,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	168.192g/mol
Monoisotopic Mass	168.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

Lot Number