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2-Methyl-4-heptanol

CAT: 0286-M19000Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-M19000Size:1 g
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CAS Number
21570-35-4
UN Code
UN1987
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00046688
Hazard Statement
H226 Flammable liquid and vapor; 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
Alcohols, N.O.S
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2-Methyl-4-heptanol
CAS Number21570-35-4
PubChem CID89517
IUPAC Name2-methylheptan-4-ol
Molecular FormulaC8H18O
Molecular Weight130.23
XLogP2.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity59
SMILES
CCCC(CC(C)C)O
InChI
InChI=1S/C8H18O/c1-4-5-8(9)6-7(2)3/h7-9H,4-6H2,1-3H3
InChIKey
QXPLZEKPCGUWEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4-heptanol
CAS: 21570-35-4
CID: 89517
Formula: C8H18O
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity59.6
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