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1 5-Diacetoxypentane 95%

CAT: 0286-D02728Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-D02728Size:100 g
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CAS Number
6963-44-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014985
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
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.

Chemical Information

1,5-Diacetoxypentane
CAS Number6963-44-6
PubChem CID81414
IUPAC Name5-acetyloxypentyl acetate
Molecular FormulaC9H16O4
Molecular Weight188.22
XLogP1.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity147
SMILES
CC(=O)OCCCCCOC(=O)C
InChI
InChI=1S/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3
InChIKey
PIJBVCVBCQOWMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,5-Diacetoxypentane
CAS: 6963-44-6
CID: 81414
Formula: C9H16O4
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass188.10485899
Monoisotopic Mass188.10485899
Topological Polar Surface Area52.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity147
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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Alternative Products

CatalogName
OR1043922-011,5-Diacetoxypentane
OR1043855-012,4-Diacetoxypentane
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