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Aromatic building blocks

Ctk3C6017

Also known as (2S,3S)-4-(Benzyloxy)-2-methylbutane-1,3-diol

CAS 86990-89-8Formula C12H18O3Molar mass 210.27 g/mol
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Ctk3C6017 chemical structure, C12H18O3, CAS 86990-89-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86990-89-8
Formula
C12H18O3
Molar mass
210.27 g/mol
HS code
290949
Category
Aromatic building blocks

What is Ctk3C6017?

Plain description, key identifiers and synonyms

Ctk3C6017 is a chemical substance with the molecular formula C12H18O3 and a molar mass of 210.27 g/mol. Its CAS registry number is 86990-89-8. The IUPAC name is (2S,3S)-2-methyl-4-phenylmethoxybutane-1,3-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S)-2-methyl-4-phenylmethoxybutane-1,3-diol
CAS number
86990-89-8 CAS number cross-checked
Molecular formula
C12H18O3
InChIKey
KLPFRPGTGPZUHS-CMPLNLGQSA-N
InChI
InChI=1S/C12H18O3/c1-10(7-13)12(14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m0/s1
Canonical SMILES
CC(CO)C(O)COCc1ccccc1
Isomeric SMILES
C[C@@H](CO)[C@@H](COCC1=CC=CC=C1)O

Synonyms

  • (2S,3S)-4-(Benzyloxy)-2-methylbutane-1,3-diol

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
210.27 g/molcalc.
Exact mass
210.1256 Dacalc.
LogP (octanol/water)
1.19calc.
Topological polar surface area
49.69 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Ctk3C6017 suppliers

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Ctk3C6017 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 Ctk3C6017 is traded under.

HS 2909.49Indicative HS code

Ether-alcohols and their halogenated not elsewhere classified in subheading 2909.4

World exports in 2024
$1.74B
+6.8% vs 2023, imports $1.86B
2019 to 2024
Top exporters
  1. Germany20.6%
  2. China13.9%
  3. Netherlands12.2%
Top importers
  1. China8.8%
  2. Germany8.3%
  3. United States7.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ctk3C6017 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ctk3C6017, based on the data on this page

What is Ctk3C6017?

Ctk3C6017 is a chemical substance with the molecular formula C12H18O3 and a molar mass of 210.27 g/mol. Its CAS registry number is 86990-89-8. The IUPAC name is (2S,3S)-2-methyl-4-phenylmethoxybutane-1,3-diol.

What is the CAS number of Ctk3C6017?

The CAS registry number of Ctk3C6017 is 86990-89-8.

What is the molecular formula and weight of Ctk3C6017?

The molecular formula of Ctk3C6017 is C12H18O3 and its molar mass is 210.27 g/mol.

What is Ctk3C6017 used for?

Known uses and roles of Ctk3C6017 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ctk3C6017 hazardous?

No GHS hazard classification for Ctk3C6017 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 Ctk3C6017?

Ctk3C6017 is usually classified under HS code 290949 (Ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ctk3C6017?

Post a free request on CompoundList and suppliers of Ctk3C6017 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ctk3C6017?

Suppliers quote Ctk3C6017 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 Ctk3C6017

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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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