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Behenic acid 85%

CAT: 0286-B00620-02Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0286-B00620-02Size:1000 g
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CAS Number
112-85-6
Synonyms
N-Docosanoic acid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002807
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

Docosanoic Acid

Docosanoic acid is a straight-chain, C22, long-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a behenate.

CAS Number112-85-6
PubChem CID8215
IUPAC Namedocosanoic acid
Molecular FormulaC22H44O2
Molecular Weight340.6
XLogP9.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Heavy Atom Count24
Formal Charge0
Complexity250
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey
UKMSUNONTOPOIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Docosanoic Acid
CAS: 112-85-6
CID: 8215
Formula: C22H44O2
MW: 340.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.6
XLogP39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count20
Exact Mass340.334130642
Monoisotopic Mass340.334130642
Topological Polar Surface Area37.3 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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Alternative Products

CatalogName
TRC-B119580-50GBehenic Acid
442208-01Behenic Acid-d44
442207-01Behenic Acid-d43
162742-01Behenic Acid (Docosanoic Acid)
215256BEHENIC ACID SILVER SALT
sc-503271Behenic Acid Ethyl Ester
35591-01Behenic Acid extrapure, 99%
64733-01Behenic Acid pure, 85%
AR-F09712-01Docosanoic Acid-d4 (Behenic Acid-d4)
AR-F09711-01Docosanoic Acid-d3 (Behenic Acid-d3)

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