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Aliphatic and alicyclic building blocks

Roccellic acid

Also known as (2R,3S)-2-dodecyl-3-methylbutanedioic acid, Succinic acid, 2-dodecyl-3-methyl-, (+)-, Rocellic acid

CAS 29838-46-8Formula C17H32O4Molar mass 300.44 g/mol
1 supplier listed
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Roccellic acid chemical structure, C17H32O4, CAS 29838-46-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
29838-46-8
Formula
C17H32O4
Molar mass
300.44 g/mol
HS code
291719
Category
Aliphatic and alicyclic building blocks

What is Roccellic acid?

Plain description, key identifiers and synonyms

Roccellic acid is a long-chain fatty acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S)-2-dodecyl-3-methylbutanedioic acid
CAS number
29838-46-8
Molecular formula
C17H32O4
UNII
AEL38V7F67
InChIKey
CADNMISJDLVPCK-LSDHHAIUSA-N
InChI
InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)/t14-,15+/m0/s1
Canonical SMILES
CCCCCCCCCCCCC(C(=O)O)C(C)C(=O)O
Isomeric SMILES
CCCCCCCCCCCC[C@H]([C@H](C)C(=O)O)C(=O)O

Synonyms

  • (2R,3S)-2-dodecyl-3-methylbutanedioic acid
  • Succinic acid, 2-dodecyl-3-methyl-, (+)-
  • Rocellic acid
  • Acide roccellique
  • Succinic acid, 2-dodecyl-3-methyl-, (2R,3S)-
  • (2R,3S)-2-dodecyl-3-methylsuccinic acid
  • (+)-Roccellic acid
  • Roccellic acid, (+)-
  • (2R,3S)-2-dodecyl-3-methyl-butanedioic acid
  • Butanedioic acid, 2-dodecyl-3-methyl-, (S-(R*,S*))-
  • Butanedioic acid, 2-dodecyl-3-methyl-, (2R,3S)-

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
300.44 g/molcalc.
Exact mass
300.2301 Dacalc.
LogP (octanol/water)
4.72calc.
Topological polar surface area
74.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
14calc.
Heavy atoms
21calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
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.

Roccellic acid suppliers

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Where suppliers are based

1 supplier in 1 country

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Roccellic acid 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

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 Roccellic acid is traded under.

HS 2917.19Indicative HS code

Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$718M
+8.1% vs 2023, imports $915M
2019 to 2024
Top exporters
  1. China46.6%
  2. United States13.7%
  3. Germany10.1%
Top importers
  1. United States16.2%
  2. Denmark11.8%
  3. Germany10.0%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Roccellic acid, based on the data on this page

What is Roccellic acid?

Roccellic acid is a long-chain fatty acid.

What is the CAS number of Roccellic acid?

The CAS registry number of Roccellic acid is 29838-46-8.

What is the molecular formula and weight of Roccellic acid?

The molecular formula of Roccellic acid is C17H32O4 and its molar mass is 300.44 g/mol.

What is Roccellic acid used for?

Known uses and roles of Roccellic acid include building blocks in research and laboratory.

Is Roccellic acid hazardous?

No GHS hazard classification for Roccellic acid 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 Roccellic acid?

Roccellic acid is usually classified under HS code 291719 (Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Roccellic acid?

CompoundList lists 1 supplier of Roccellic acid in Australia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Roccellic acid?

Suppliers quote Roccellic acid 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 Roccellic acid

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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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