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2,2,4-Trimethyl-1,3-pentanediol

CAT: 0286-T28635-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0286-T28635-01Size:250 g
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CAS Number
144-19-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004681
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

2,2,4-Trimethyl-1,3-pentanediol

2,2,4-trimethyl-1,3-Pentanediol is a secondary alcohol.

CAS Number144-19-4
PubChem CID8946
IUPAC Name2,2,4-trimethylpentane-1,3-diol
Molecular FormulaC8H18O2
Molecular Weight146.23
XLogP1.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
CC(C)C(C(C)(C)CO)O
InChI
InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChIKey
JCTXKRPTIMZBJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,4-Trimethyl-1,3-pentanediol
CAS: 144-19-4
CID: 8946
Formula: C8H18O2
MW: 146.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.23
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass146.130679813
Monoisotopic Mass146.130679813
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T7200-012,2,4-Trimethyl-1,3-pentanediol
TRC-T796572-2.5MG2,2,4-Trimethyl-1,3-pentanediol-d6
AR-P30753-012,2,4-Trimethyl-1,3-Pentanediol Diisobutyrate
419420-012,2,4-Trimethyl-1,3-pentanediol 3-isobutyrate
sc-2659472,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate
TRC-T798121-1MG2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate-d14
419421-012,2,4-Trimethyl-1,3-pentanediol Diisobutyrate-d7
OR228213,3,4-trimethyl-1,4-pentanediol
sc-2310022,4-Pentanediol
sc-2518122,2,3,3,4,4-Hexafluoro-1,5-pentanediol

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