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Screening compounds

Enterodiol

Also known as (-)-Enterodiol, (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol, (2R,3R)-2,3-Bis((3-hydroxyphenyl)methyl)butane-1,4-diol

CAS 80226-00-2Formula C18H22O4Molar mass 302.37 g/molEC 634-752-1
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Enterodiol chemical structure, C18H22O4, CAS 80226-00-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80226-00-2
Formula
C18H22O4
Molar mass
302.37 g/mol
EC number
634-752-1
HS code
290729
Category
Screening compounds

What is Enterodiol?

Plain description, key identifiers and synonyms

enterodiol has been reported in Punica granatum, Enterococcus faecalis, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
CAS number
80226-00-2 CAS number cross-checkedOther or deprecated CAS: 77756-22-0
EC number
634-752-1
Molecular formula
C18H22O4
UNII
BZF4X2AWRP
InChIKey
DWONJCNDULPHLV-HOTGVXAUSA-N
InChI
InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1
Canonical SMILES
OCC(Cc1cccc(O)c1)C(CO)Cc1cccc(O)c1
Isomeric SMILES
C1=CC(=CC(=C1)O)C[C@@H](CO)[C@@H](CC2=CC(=CC=C2)O)CO

Synonyms

  • (-)-Enterodiol
  • (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
  • (2R,3R)-2,3-Bis((3-hydroxyphenyl)methyl)butane-1,4-diol
  • rac Enterodiol
  • ( inverted exclamation markA)-Enterodiol
  • Arbo 9
  • (2R,3R)-2,3-bis(3-hydroxybenzyl)butane-1,4-diol
  • (2R,3R)-rel-2,3-Bis[(3-hydroxyphenyl)methyl]-1,4-butanediol, (R*,R*)-(+/-)-2,3-Bis[(3-hydroxyphenyl)methyl]-1,4-butanediol,
  • 1,4-Butanediol, 2,3-bis((3-hydroxyphenyl)methyl)-, (2R,3R)-
  • (? currency)-Enterodiol
  • 4,4',9,9'-Tetrahydroxylignan
  • 1,4-Butanediol, 2,3-bis((3-hydroxyphenyl)methyl)-, (R-(R*,R*))-
  • (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol
  • [R-(R*,R*)]-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol

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
302.37 g/molcalc.
Exact mass
302.1518 Dacalc.
LogP (octanol/water)
2.1calc.
Topological polar surface area
80.92 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
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, c1ccc(CCCCc2ccccc2)cc1

c1ccc(CCCCc2ccccc2)cc1

2 rings, 16 atoms, the 1,4-Diphenylbutane ring system.

174 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

Enterodiol suppliers

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Where suppliers are based

1 supplier in 1 country

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Enterodiol 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 Enterodiol is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Enterodiol?

enterodiol has been reported in Punica granatum, Enterococcus faecalis, and other organisms.

What is the CAS number of Enterodiol?

The CAS registry number of Enterodiol is 80226-00-2. Other or deprecated CAS numbers: 77756-22-0.

What is the molecular formula and weight of Enterodiol?

The molecular formula of Enterodiol is C18H22O4 and its molar mass is 302.37 g/mol.

What is Enterodiol used for?

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

Is Enterodiol hazardous?

Enterodiol 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 Enterodiol?

Enterodiol is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Enterodiol?

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

What is the price of Enterodiol?

Suppliers quote Enterodiol 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 Enterodiol

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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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