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Lipids and fatty acids

Orb3214718

CAS 1095558-88-5Formula C31H50O2Molar mass 454.74 g/mol
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Orb3214718 chemical structure, C31H50O2, CAS 1095558-88-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1095558-88-5
Formula
C31H50O2
Molar mass
454.74 g/mol
HS code
291619
Category
Lipids and fatty acids

What is Orb3214718?

Plain description, key identifiers and synonyms

Orb3214718 is a chemical substance with the molecular formula C31H50O2 and a molar mass of 454.74 g/mol. Its CAS registry number is 1095558-88-5. The IUPAC name is (13Z,16Z,19Z,22Z,25Z,28Z)-hentriaconta-13,16,19,22,25,28-hexaenoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(13Z,16Z,19Z,22Z,25Z,28Z)-hentriaconta-13,16,19,22,25,28-hexaenoic acid
CAS number
1095558-88-5
Molecular formula
C31H50O2
InChIKey
DIUWIZOPKHXKIU-KUBAVDMBSA-N
InChI
InChI=1S/C31H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-30H2,1H3,(H,32,33)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
Canonical SMILES
CCC=CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O
Isomeric SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O

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
454.74 g/molcalc.
Exact mass
454.3811 Dacalc.
LogP (octanol/water)
10.06calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
23calc.
Heavy atoms
33calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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.

Orb3214718 suppliers

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Orb3214718 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb3214718 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 Orb3214718 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3214718, based on the data on this page

What is Orb3214718?

Orb3214718 is a chemical substance with the molecular formula C31H50O2 and a molar mass of 454.74 g/mol. Its CAS registry number is 1095558-88-5. The IUPAC name is (13Z,16Z,19Z,22Z,25Z,28Z)-hentriaconta-13,16,19,22,25,28-hexaenoic acid.

What is the CAS number of Orb3214718?

The CAS registry number of Orb3214718 is 1095558-88-5.

What is the molecular formula and weight of Orb3214718?

The molecular formula of Orb3214718 is C31H50O2 and its molar mass is 454.74 g/mol.

Is Orb3214718 hazardous?

No GHS hazard classification for Orb3214718 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 Orb3214718?

Orb3214718 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 Orb3214718?

Post a free request on CompoundList and suppliers of Orb3214718 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3214718?

Suppliers quote Orb3214718 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

Practical guides that help when you source, ship or handle Orb3214718

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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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