Triheptadecanoin 99%

CAT: 0286-T24315-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0286-T24315-02Size:5 g

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CAS Number

2438-40-6

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00053740

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

Triheptadecanoin

TG(17:0/17:0/17:0) is a triacylglycerol 51:0.

CAS Number	2438-40-6
PubChem CID	3625612
IUPAC Name	2,3-di(heptadecanoyloxy)propyl heptadecanoate
Molecular Formula	C54H104O6
Molecular Weight	849.4
XLogP	23.6
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	53
Heavy Atom Count	60
Formal Charge	0
Complexity	841

SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3

InChIKey

FBFWDBGUSMGXPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2438-40-6

CID: 3625612

Formula: C54H104O6

MW: 849.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	849.4
XLogP3	23.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	53
Exact Mass	848.78329103
Monoisotopic Mass	848.78329103
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	841
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-141642-01	Triheptadecanoin
HY-141642S-01	Triheptadecanoin-d5
MBS393887-01	Triheptadecanoin, glyceryl 13C3
MBS393865-01	Triheptadecanoin, glycerol D5, (D, 99%)

Triheptadecanoin 99%

Chemical Information

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