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Lipids and fatty acids

Pentol

Also known as 9-Octadecenoic acid (Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl, 9-Octadecenoic acid (Z)-, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol, 2,2-Bis(hydroxymethyl)propane-1,3-diol, (Z)-octadec-9-enoic acid

CAS 12772-47-3Formula C23H46O6Molar mass 418.62 g/molEC 235-816-8
3 suppliers listed
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Pentol chemical structure, C23H46O6, CAS 12772-47-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
12772-47-3
Formula
C23H46O6
Molar mass
418.62 g/mol
EC number
235-816-8
HS code
291615
Category
Lipids and fatty acids

What is Pentol?

Plain description, key identifiers and synonyms

Pentol is a chemical substance with the molecular formula C23H46O6 and a molar mass of 418.62 g/mol. Its CAS registry number is 12772-47-3. The IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol, (Z)-octadec-9-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2-bis(hydroxymethyl)propane-1,3-diol, (Z)-octadec-9-enoic acid
CAS number
12772-47-3
EC number
235-816-8
Molecular formula
C23H46O6
InChIKey
ARWLNYJOVMFZNY-KVVVOXFISA-N
InChI
InChI=1S/C18H34O2.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-1-5(2-7,3-8)4-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);6-9H,1-4H2/b10-9-;
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)O.OCC(CO)(CO)CO
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O.C(C(CO)(CO)CO)O

Synonyms

  • 9-Octadecenoic acid (Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl
  • 9-Octadecenoic acid (Z)-, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
  • 2,2-Bis(hydroxymethyl)propane-1,3-diol, (Z)-octadec-9-enoic acid
  • Pentaerythritol oleate

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
418.62 g/molcalc.
Exact mass
418.3294 Dacalc.
LogP (octanol/water)
4.05calc.
Topological polar surface area
118.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
19calc.
Heavy atoms
29calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 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.

Pentol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 3 suppliers
  • GEO Specialty Chemicals, Inc.
    United States, Milford ManufacturerUnclaimed profile
    PentolGrade, purity and minimum order on request
    Price on request
    View
  • Croda Inc.
    United States, Plainsboro ManufacturerUnclaimed profile
    PentolGrade, purity and minimum order on request
    Price on request
    View
  • Houghton International
    United States, Norristown ManufacturerUnclaimed profile
    PentolGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

3 suppliers in 1 country

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Pentol price

Indicative price range per kg from live supplier offers

No published prices right now

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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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2916.15Indicative HS code

Oleic, linoleic or linolenic acids, their salts and esters

World exports in 2024
$204M
−5.6% vs 2023, imports $199M
2019 to 2024
Top exporters
  1. Italy20.3%
  2. China14.4%
  3. India * partner reported8.0%
Top importers
  1. Germany18.4%
  2. France * partner reported8.7%
  3. China5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pentol?

Pentol is a chemical substance with the molecular formula C23H46O6 and a molar mass of 418.62 g/mol. Its CAS registry number is 12772-47-3. The IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol, (Z)-octadec-9-enoic acid.

What is the CAS number of Pentol?

The CAS registry number of Pentol is 12772-47-3.

What is the molecular formula and weight of Pentol?

The molecular formula of Pentol is C23H46O6 and its molar mass is 418.62 g/mol.

Is Pentol hazardous?

No GHS hazard classification for Pentol 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 Pentol?

Pentol is usually classified under HS code 291615 (Oleic, linoleic or linolenic acids, their salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentol?

CompoundList lists 3 suppliers of Pentol in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pentol?

Suppliers quote Pentol 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 Pentol

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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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