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Trans-1,4-Bis (hydroxymethyl) cyclohexane

CAT: 0286-C30300-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
3236-48-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00066360
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1,4-Cyclohexanedimethanol

used as a monomer in the production of polyester resins; RN given refers to cpd with specified locants for dimethanol groups

CAS Number3236-48-4
PubChem CID7735
IUPAC Name[4-(hydroxymethyl)cyclohexyl]methanol
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP0.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity73
SMILES
C1CC(CCC1CO)CO
InChI
InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2
InChIKey
YIMQCDZDWXUDCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Cyclohexanedimethanol
CAS: 3236-48-4
CID: 7735
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity73.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19275330-01Trans-1,4-Bis (hydroxymethyl) cyclohexane
OR3201-01Trans-1,2-Bis (hydroxymethyl) cyclohexane
ACA65443-011- (Hydroxymethyl) cyclohexane-1-carbonitrile
EEA65466-01Methyl 1- (hydroxymethyl) cyclohexane-1-carboxylate
HXC89112-01Rac- (1S,4S) -4- (Hydroxymethyl) cyclohexane-1-carbonitrile
QHA32153-01Ethyl 3- (hydroxymethyl) cyclohexane-1-carboxylate
GTR19271751-014-[ (1E,3E) -hepta-1,3-dien-1-yl]-3- (hydroxymethyl) cyclohexane-1,2-diol
OR1026022-01(1S,2S,3R,4S,5S) -5-Amino-1- (Hydroxymethyl) Cyclohexane-1,2,3,4-Tetraol
OR1007923-01(1S,2S,3R,4S,5S) -5- ((1,3-Dihydroxypropan-2-Yl) Amino) -1- (Hydroxymethyl) Cyclohexane-1,2,3,4-Tetraol
OR1001788-01Isopropyl (1S,3S) -3- ((6- (5- (hydroxymethyl) -1-methyl-1H-1,2,3-triazol-4-yl) -2-methylpyridin-3-yl) oxy) cyclohexane-1-carboxylate

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