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4-Ethyl-4-heptanol 97%

CAT: 0286-E10260-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-E10260-01Size:1 g
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CAS Number
597-90-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00053501
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

4-Ethyl-4-heptanol
CAS Number597-90-0
PubChem CID69013
IUPAC Name4-ethylheptan-4-ol
Molecular FormulaC9H20O
Molecular Weight144.25
XLogP2.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity72
SMILES
CCCC(CC)(CCC)O
InChI
InChI=1S/C9H20O/c1-4-7-9(10,6-3)8-5-2/h10H,4-8H2,1-3H3
InChIKey
GNROHGFUVTWFNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethyl-4-heptanol
CAS: 597-90-0
CID: 69013
Formula: C9H20O
MW: 144.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.25
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass144.151415257
Monoisotopic Mass144.151415257
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity72.8
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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