2-Hydroxystearic acid Tech. Grade

CAT: 0286-H18170-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0286-H18170-01Size:1 g

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CAS Number

629-22-1

Synonyms

2-Hydroxyoctadecanoic acid

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00046526

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

2-Hydroxystearic acid

2-hydroxyoctadecanoic acid is a long-chain fatty acid that is stearic (octadecanoic) acid substituted at position 2 by a hydroxy group. It has a role as a human metabolite. It is a 2-hydroxy fatty acid and a hydroxyoctadecanoic acid. It is a conjugate acid of a 2-hydroxyoctadecanoate.

CAS Number	629-22-1
PubChem CID	69417
IUPAC Name	2-hydroxyoctadecanoic acid
Molecular Formula	C18H36O3
Molecular Weight	300.5
XLogP	7.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	229

SMILES

CCCCCCCCCCCCCCCCC(C(=O)O)O

InChI

InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)

InChIKey

KIHBGTRZFAVZRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 629-22-1

CID: 69417

Formula: C18H36O3

MW: 300.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	300.5
XLogP3	7.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	300.26644501
Monoisotopic Mass	300.26644501
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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2-Hydroxystearic acid Tech. Grade

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