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3-Methyl-1-butanethiol 95%

CAT: 0286-M13080-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-M13080-01Size:25 g
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CAS Number
541-31-1
UN Code
UN1228
Pictogram
02 - Flammable; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00004899
Hazard Statement
H225 Highly flammable liquid and vapor; H301 Toxic 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
Mercaptans, Liquid, Flammable, Toxic, N.O.S.
DOT Classification
Class 3, 6.1
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; 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

Isoamyl mercaptan

Isopentyl mercaptan is an alkanethiol.

CAS Number541-31-1
PubChem CID10925
IUPAC Name3-methylbutane-1-thiol
Molecular FormulaC5H12S
Molecular Weight104.22
XLogP2.2
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity25
SMILES
CC(C)CCS
InChI
InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey
GIJGXNFNUUFEGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoamyl mercaptan
CAS: 541-31-1
CID: 10925
Formula: C5H12S
MW: 104.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.22
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass104.06597156
Monoisotopic Mass104.06597156
Topological Polar Surface Area1 Ų
Heavy Atom Count6
Formal Charge0
Complexity25.1
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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