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N-Butyl stearate 96%

CAT: 0286-B30750Size: 250 gDry Ice: NoHazardous: No
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CAT#:0286-B30750Size:250 g
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CAS Number
123-95-5
Synonyms
Stearic acid butyl ester; N-Butyl octadecanoate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00026669
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

Butyl Stearate

Butyl octadecanoate is a fatty acid ester that is the butyl ester of stearic acid. It has a role as an algal metabolite. It is functionally related to an octadecanoic acid.

CAS Number123-95-5
PubChem CID31278
IUPAC Namebutyl octadecanoate
Molecular FormulaC22H44O2
Molecular Weight340.6
XLogP9.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Heavy Atom Count24
Formal Charge0
Complexity250
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCC
InChI
InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
InChIKey
ULBTUVJTXULMLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl Stearate
CAS: 123-95-5
CID: 31278
Formula: C22H44O2
MW: 340.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.6
XLogP39.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Exact Mass340.334130642
Monoisotopic Mass340.334130642
Topological Polar Surface Area26.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity250
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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