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Isovaleric anhydride

CAT: 0286-I11340Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-I11340Size:10 g
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CAS Number
1468-39-9
UN Code
UN2922
Pictogram
05 - Corrosive; 06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00015051
Hazard Statement
H302 Harmful if swallowed; H311 Toxic in contact with skin; H314 Causes severe skin burns and eye damage; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Corrosive Liquid, Toxic, N.O.S.
DOT Classification
Class 8, 6.1
Packaging Group
PGII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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

Isovaleric anhydride
CAS Number1468-39-9
PubChem CID73847
IUPAC Name3-methylbutanoyl 3-methylbutanoate
Molecular FormulaC10H18O3
Molecular Weight186.25
XLogP2.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
CC(C)CC(=O)OC(=O)CC(C)C
InChI
InChI=1S/C10H18O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
FREZLSIGWNCSOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isovaleric anhydride
CAS: 1468-39-9
CID: 73847
Formula: C10H18O3
MW: 186.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.25
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass186.125594432
Monoisotopic Mass186.125594432
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
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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