Isobutyric anhydride

CAT: 0286-I06560-01Size: 500 mLDry Ice: NoHazardous: Yes

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CAT#:0286-I06560-01Size:500 mL

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CAS Number

97-72-3

UN Code

UN2922

Pictogram

05 - Corrosive; 06 - Acute Toxicity

UDF Signal Word

Danger

MDL Number

MFCD00008913

Hazard Statement

H301 Toxic if swallowed; H311 Toxic in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Corrosive Liquids, Toxic, N.O.S.

DOT Classification

Class 8, 6.1

Packaging Group

PGIII

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+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

Isobutyric anhydride

Isobutyric acid anhydride is an acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is functionally related to an isobutyric acid.

CAS Number	97-72-3
PubChem CID	7346
IUPAC Name	2-methylpropanoyl 2-methylpropanoate
Molecular Formula	C8H14O3
Molecular Weight	158.19
XLogP	2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

CC(C)C(=O)OC(=O)C(C)C

InChI

InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3

InChIKey

LSACYLWPPQLVSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97-72-3

CID: 7346

Formula: C8H14O3

MW: 158.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	158.19
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Isobutyric anhydride

Chemical Information

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