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Octanophenone 98%

CAT: 0286-O01315-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-O01315-03Size:100 g
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CAS Number
1674-37-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00003554
Hazard Statement
H302 Harmful 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
Not D.O.T.-Regulated
Precautions
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.

Chemical Information

Octanophenone
CAS Number1674-37-9
PubChem CID74291
IUPAC Name1-phenyloctan-1-one
Molecular FormulaC14H20O
Molecular Weight204.31
XLogP4.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity168
SMILES
CCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey
UDEVCZRUNOLVLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanophenone
CAS: 1674-37-9
CID: 74291
Formula: C14H20O
MW: 204.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.31
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass204.151415257
Monoisotopic Mass204.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity168
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
GTR19202207-01Octanophenone

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