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Lipids and fatty acids

Orb3216686

CAS 1329115-75-4Formula C59H100O6Molar mass 905.44 g/mol
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Orb3216686 chemical structure, C59H100O6, CAS 1329115-75-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1329115-75-4
Formula
C59H100O6
Molar mass
905.44 g/mol
HS code
291619
Category
Lipids and fatty acids

What is Orb3216686?

Plain description, key identifiers and synonyms

Orb3216686 is a chemical substance with the molecular formula C59H100O6 and a molar mass of 905.44 g/mol. Its CAS registry number is 1329115-75-4. The IUPAC name is [2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CAS number
1329115-75-4
Molecular formula
C59H100O6
InChIKey
PGJWAHSGHMELDL-XPSCSYMASA-N
InChI
InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-31,35,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,28,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,31-26-,37-35-,46-43-
Canonical SMILES
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
905.44 g/molcalc.
Exact mass
904.752 Dacalc.
LogP (octanol/water)
17.98calc.
Topological polar surface area
78.9 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
48calc.
Heavy atoms
65calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Orb3216686 suppliers

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Orb3216686 price

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Orb3216686 is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3216686 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3216686, based on the data on this page

What is Orb3216686?

Orb3216686 is a chemical substance with the molecular formula C59H100O6 and a molar mass of 905.44 g/mol. Its CAS registry number is 1329115-75-4. The IUPAC name is [2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate.

What is the CAS number of Orb3216686?

The CAS registry number of Orb3216686 is 1329115-75-4.

What is the molecular formula and weight of Orb3216686?

The molecular formula of Orb3216686 is C59H100O6 and its molar mass is 905.44 g/mol.

What is Orb3216686 used for?

Known uses and roles of Orb3216686 include surfactants in home care and cleaning.

Is Orb3216686 hazardous?

No GHS hazard classification for Orb3216686 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb3216686?

Orb3216686 is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3216686?

Post a free request on CompoundList and suppliers of Orb3216686 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3216686?

Suppliers quote Orb3216686 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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