Products for Research Use Only
RegisterLogin

Octyl hexanoate

CAT: 0286-O01950Size: 25 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0286-O01950Size:25 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
4887-30-3
Synonyms
N-Octyl caproate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00048941
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.
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 hexanoate

Octyl hexanoate is a carboxylic ester.

CAS Number4887-30-3
PubChem CID21006
IUPAC Nameoctyl hexanoate
Molecular FormulaC14H28O2
Molecular Weight228.37
XLogP5.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity155
SMILES
CCCCCCCCOC(=O)CCCCC
InChI
InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3
InChIKey
CMNMHJVRZHGAAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octyl hexanoate
CAS: 4887-30-3
CID: 21006
Formula: C14H28O2
MW: 228.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.37
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass228.208930132
Monoisotopic Mass228.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity155
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

Related Products

CatalogName
E10416-01Ethyl hexanoate
M19500-01Methyl hexanoate
O01760Octyl butyrate
O01825Octyl Cumene
O02270-01Octyl thioglycolate
O02010Octyl Isobutyrate
O02120-01Octyl pelargonate
O02020-01Octyl isocyanate
P27500-01N-Propyl hexanoate 98%
O01830-01N-Octyl cyanide

Alternative Products

CatalogName
AAA10670-01Methyl Hexanoate
HY-N7402-01Hexyl hexanoate
TYD-00996-01Cholesterol hexanoate
TN9226-01Benzyl hexanoate
TYD-02611-01Vinyl Hexanoate
T84122-01Heptyl hexanoate
012899Glycidyl Hexanoate
1062-96-0Cholesteryl hexanoate
JH634418Hexadecyl hexanoate
GK7301-25gSodium hexanoate

Popular Products