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3-Hydroxy-3-methyl-1-butene 95%

CAT: 0286-H14275-01Size: 100 mLDry Ice: NoHazardous: Yes
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CAT#:0286-H14275-01Size:100 mL
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CAS Number
115-18-4
Synonyms
2-Methyl-3-buten-2-ol
UN Code
UN1987
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00004470
Hazard Statement
H225 Highly 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.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Alcohols, N.O.S.
DOT Classification
Class 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; 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-3-buten-2-ol

3-hydroxy-3-methylbut-1-ene is a tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. It has a role as a pheromone, a fragrance, an animal metabolite and a plant metabolite. It is a tertiary alcohol and an olefinic compound. It derives from a hydride of a 3-methylbut-1-ene.

CAS Number115-18-4
PubChem CID8257
IUPAC Name2-methylbut-3-en-2-ol
Molecular FormulaC5H10O
Molecular Weight86.13
XLogP0.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity55
SMILES
CC(C)(C=C)O
InChI
InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChIKey
HNVRRHSXBLFLIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3-buten-2-ol
CAS: 115-18-4
CID: 8257
Formula: C5H10O
MW: 86.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.13
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass86.073164938
Monoisotopic Mass86.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity55
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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