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Amino acids and derivatives

Ectoine

Also known as ectoin, (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid, (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid

CAS 96702-03-3Formula C6H10N2O2Molar mass 142.16 g/molEC 431-910-1
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Ectoine chemical structure, C6H10N2O2, CAS 96702-03-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
96702-03-3
Formula
C6H10N2O2
Molar mass
142.16 g/mol
EC number
431-910-1
HS code
293359
Category
Amino acids and derivatives

What is Ectoine?

Plain description, key identifiers and synonyms

Ectoine is a carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. It has a role as an osmolyte. It is a monocarboxylic acid, a carboxamidine and a member of 1,4,5,6-tetrahydropyrimidines. It is a conjugate acid of an ectoinate. It is a tautomer of an ectoine zwitterion.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
CAS number
96702-03-3 CAS number cross-checked
EC number
431-910-1
Molecular formula
C6H10N2O2
UNII
7GXZ3858RY
MDL number
MFCD03419286
INCI name
ECTOIN
InChIKey
WQXNXVUDBPYKBA-YFKPBYRVSA-N
InChI
InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
Canonical SMILES
CC1=NCCC(C(=O)O)N1
Isomeric SMILES
CC1=NCC[C@H](N1)C(=O)O

Synonyms

  • ectoin
  • (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
  • (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • (4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (+)-
  • (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
  • (6S)-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate
  • 2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • L-Ectoine
  • (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • US9138393, Ectoine
  • 4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, (4S)-
  • (S)-2-Methyl- 1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • (S)-1,4,5,6-Tetrahydro-2-methyl-4-pyrimidincarbonsure
  • Ectoine?
  • Ectoine (Standard)
  • Ectoine, osmoprotectant
  • US9144538, Ectoine
  • Ectoine, >=95.0% (HPLC)
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (4S)-
  • Ectoine, primary pharmaceutical reference standard
  • (4S)-2-Methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
Show all 30 synonyms
  • (4s)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (S)-1,4,5,6-tetrahydro-2-methyl-4-pyrimi-dinecarboxylic acid
  • (s)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4 carboxylic acid
  • Ectoine (2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid)

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
142.16 g/molcalc.
Exact mass
142.0742 Dacalc.
LogP (octanol/water)
-0.15calc.
Topological polar surface area
61.69 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=NCCCN1

C1=NCCCN1

1 ring, 6 atoms, the 1,4,5,6-Tetrahydropyrimidine ring system.

194 other chemicals share this scaffold

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.

Ectoine suppliers

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

All 95 suppliers
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Where suppliers are based

95 suppliers in 13 countries

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Ectoine 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

Cosmetic ingredient, INCI name ECTOIN(skin conditioning)

Roles

  • osmolyte

Functional uses

  • Softener and conditioner
  • pH regulating agent

Cosmetic functions

  • Skin conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ectoine?

Ectoine is a carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. It has a role as an osmolyte. It is a monocarboxylic acid, a carboxamidine and a member of 1,4,5,6-tetrahydropyrimidines. It is a conjugate acid of an ectoinate.

What is the CAS number of Ectoine?

The CAS registry number of Ectoine is 96702-03-3.

What is the molecular formula and weight of Ectoine?

The molecular formula of Ectoine is C6H10N2O2 and its molar mass is 142.16 g/mol.

What is Ectoine used for?

Known uses and roles of Ectoine include skin conditioning agents in cosmetics and personal care, osmolyte, skin conditioning, softener and conditioner and ph regulating agent.

Is Ectoine hazardous?

No GHS hazard classification for Ectoine 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 Ectoine?

Ectoine is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ectoine?

CompoundList lists 95 suppliers of Ectoine in China, United States, Germany, United Kingdom and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ectoine in India?

1 supplier in India list Ectoine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Ectoine?

Suppliers quote Ectoine 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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