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A-Hydroxycaprylic acid

CAT: 0286-H10510-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
617-73-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014410
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

Hydroxycaprylic Acid

2-hydroxyoctanoic acid is a hydroxy fatty acid that is caprylic (octanoic) acid substituted by a hydroxy group at position 2. It is functionally related to an octanoic acid. It is a conjugate acid of a 2-hydroxyoctanoate.

CAS Number617-73-2
PubChem CID94180
IUPAC Name2-hydroxyoctanoic acid
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity112
SMILES
CCCCCCC(C(=O)O)O
InChI
InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChIKey
JKRDADVRIYVCCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxycaprylic Acid
CAS: 617-73-2
CID: 94180
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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