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Octyl formate FCC Grade

CAT: 0286-O01930-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0286-O01930-01Size:100 mL
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CAS Number
112-32-3
Synonyms
Octyl methanoate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00046147
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+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

Octyl formate

Octyl formate is a formate ester of octan-1-ol. It has a role as a metabolite. It is functionally related to an octan-1-ol.

CAS Number112-32-3
PubChem CID8176
IUPAC Nameoctyl formate
Molecular FormulaC9H18O2
Molecular Weight158.24
XLogP3.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity81
SMILES
CCCCCCCCOC=O
InChI
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
InChIKey
AVBRYQRTMPHARE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octyl formate
CAS: 112-32-3
CID: 8176
Formula: C9H18O2
MW: 158.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass158.130679813
Monoisotopic Mass158.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity81.6
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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