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3,5,5-Trimethyl-1-hexanol

CAT: 0286-T28065-01Size: 500 gDry Ice: NoHazardous: Yes
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CAT#:0286-T28065-01Size:500 g
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CAS Number
3452-97-9
UN Code
UN3082
Pictogram
07 - Irritant; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00036138
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; H411 Toxic to aquatic life with long-lasting effects.
DOT Name
Environmentally Hazardous Substance, Liquid, N.O.S.
DOT Classification
Class 9
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; 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; P391 Collect spillage. Hazardous to the aquatic environment.

Chemical Information

3,5,5-Trimethyl-1-hexanol

3,5,5-Trimethyl-1-hexanol is an aliphatic alcohol.

CAS Number3452-97-9
PubChem CID18938
IUPAC Name3,5,5-trimethylhexan-1-ol
Molecular FormulaC9H20O
Molecular Weight144.25
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity81
SMILES
CC(CCO)CC(C)(C)C
InChI
InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKey
BODRLKRKPXBDBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5,5-Trimethyl-1-hexanol
CAS: 3452-97-9
CID: 18938
Formula: C9H20O
MW: 144.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.25
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass144.151415257
Monoisotopic Mass144.151415257
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity81.2
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
sc-2321473,5,5-Trimethyl-1-hexanol
OR10370671-Hexanol, 3,5,5-trimethyl-, phosphate (3:1)
419991-012,3,5-Trimethyl-2-hexanol
sc-2333965-Methyl-1-hexanol
sc-2765413,5-Dimethyl-3-hexanol
OR10773733,5,5-Trimethyl-1-hexene
FT05804-011,3,5-Trimethyl-1,3,5-triazinane
RG-E140194-011,3,5-trimethyl-1,3,5-triphenylcyclohexane
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