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Impurities and reference standards

5-Hydroxyectoine

Also known as (4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid, (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid, (4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-carboxylate

CAS 165542-15-4Formula C6H10N2O3Molar mass 158.16 g/molEC 442-870-8
GHS signal word: Warning. Pictograms: Harmful or irritant 5 suppliers listed
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5-Hydroxyectoine chemical structure, C6H10N2O3, CAS 165542-15-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
165542-15-4
Formula
C6H10N2O3
Molar mass
158.16 g/mol
EC number
442-870-8
HS code
293359
Category
Impurities and reference standards

What is 5-Hydroxyectoine?

Plain description, key identifiers and synonyms

5-hydroxyectoine is a carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid. It is a monocarboxylic acid, a carboxamidine, a secondary alcohol and a member of 1,4,5,6-tetrahydropyrimidines. It is a conjugate acid of a 5-hydroxyectoinate. It is a tautomer of a 5-hydroxyectoine zwitterion.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
CAS number
165542-15-4 CAS number cross-checked
EC numbers
442-870-8, 605-411-4
Molecular formula
C6H10N2O3
UNII
CIJ7YN252E
MDL number
MFCD01863080
INCI name
HYDROXYECTOIN
InChIKey
KIIBBJKLKFTNQO-WHFBIAKZSA-N
InChI
InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1
Canonical SMILES
CC1=NCC(O)C(C(=O)O)N1
Isomeric SMILES
CC1=NC[C@@H]([C@H](N1)C(=O)O)O

Synonyms

  • (4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
  • (4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-carboxylate
  • (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate
  • Hydroxyectoin
  • Hydroxyectoine
  • beta-hydroxyectoine
  • Thp(A)
  • 4-pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S,5S)-
  • Ronacare hydroxyectoin
  • (S,S)-beta-hydroxyectoine
  • (4S,5S)-2-methyl-4-carboxy-5-hydroxy-3,4,5,6-tetrahydropyrimidine
  • (S,S)-1,4,5,6-Tetrahydro-5-hydroxy-2-methyl-4-pyrimidinecarboxylic acid
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (S-(R*,R*))-
  • Hydroxyectoine, primary pharmaceutical reference standard
  • (4S,5S)-5-hydroxy-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (S,S)-2-methyl-5-hydroxy-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • Hydroxy ectoine
  • Pyros
  • Hydroxy ection
  • (S,S)--Hydroxyectoine
  • Hydroxyectoine, >=95% (HPLC)
  • (4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylicacid
  • (S,S)--Hydroxyectoine, 5-Hydroxyectoine, Pyrostatin A, Pyrostatine A, -Hydroxyectoine

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
158.16 g/molcalc.
Exact mass
158.0691 Dacalc.
LogP (octanol/water)
-1.18calc.
Topological polar surface area
81.92 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
2calc.
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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

5-Hydroxyectoine suppliers

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Where suppliers are based

5 suppliers in 4 countries

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5-Hydroxyectoine 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 HYDROXYECTOIN(buffering, skin conditioning - emollient, skin conditioning)

Functional uses

  • Softener and conditioner
  • pH regulating agent

Cosmetic functions

  • Buffering
  • Skin conditioning
  • Skin conditioning - emollient

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 5-Hydroxyectoine 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 5-Hydroxyectoine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Hydroxyectoine, based on the data on this page

What is 5-Hydroxyectoine?

5-hydroxyectoine is a carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid. It is a monocarboxylic acid, a carboxamidine, a secondary alcohol and a member of 1,4,5,6-tetrahydropyrimidines. It is a conjugate acid of a 5-hydroxyectoinate.

What is the CAS number of 5-Hydroxyectoine?

The CAS registry number of 5-Hydroxyectoine is 165542-15-4.

What is the molecular formula and weight of 5-Hydroxyectoine?

The molecular formula of 5-Hydroxyectoine is C6H10N2O3 and its molar mass is 158.16 g/mol.

What is 5-Hydroxyectoine used for?

Known uses and roles of 5-Hydroxyectoine include emollients in cosmetics and personal care, skin conditioning agents in cosmetics and personal care, buffering, skin conditioning, skin conditioning - emollient and 2 more.

Is 5-Hydroxyectoine hazardous?

5-Hydroxyectoine carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 5-Hydroxyectoine?

5-Hydroxyectoine 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 5-Hydroxyectoine?

CompoundList lists 5 suppliers of 5-Hydroxyectoine in Australia, China, Germany and 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 5-Hydroxyectoine?

Suppliers quote 5-Hydroxyectoine 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 5-Hydroxyectoine

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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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