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Cosmetic antioxidants

Macelignan

Also known as Phenol, 4-((2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxy-, (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)-8,8'-dimethylbutane, 4-(4-(2H-1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol

CAS 107534-93-0Formula C20H24O4Molar mass 328.41 g/mol
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Macelignan chemical structure, C20H24O4, CAS 107534-93-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
107534-93-0
Formula
C20H24O4
Molar mass
328.41 g/mol
HS code
293299
Category
Cosmetic antioxidants

What is Macelignan?

Plain description, key identifiers and synonyms

4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol is a lignan.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
CAS number
107534-93-0 CAS number cross-checked
Molecular formula
C20H24O4
UNII
8PP3614Z43
MDL number
MFCD09953803
INCI name
MACELIGNAN
InChIKey
QDDILOVMGWUNGD-UONOGXRCSA-N
InChI
InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
Canonical SMILES
COc1cc(CC(C)C(C)Cc2ccc3c(c2)OCO3)ccc1O
Isomeric SMILES
C[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C)CC3=CC(=C(C=C3)O)OC

Synonyms

  • Phenol, 4-((2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxy-
  • (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)-8,8'-dimethylbutane
  • 4-(4-(2H-1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol
  • Anwuligan
  • Anwulignan
  • (+)-Anwulignan
  • austrobailignan 6
  • 4-((2S,3R)-4-(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol
  • 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • (+)-Anwulignan, Anwuligan
  • 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol
  • DL-anwulignan
  • 4-[(2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • Macelignan (Standard)
  • Macelignan, >=98% (HPLC)
  • 4-[(2S,3R)-4-(2H-1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)
  • 4-[(2S,3R)-4-(1,3-dioxaindan-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • (2r,3s)-1-(3,4-methylenedioxyphenyl)-2,3-dimethyl-4-(4-hydroxy-3-methoxyphenyl)-butane

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
328.41 g/molcalc.
Exact mass
328.1675 Dacalc.
LogP (octanol/water)
4.19calc.
Topological polar surface area
47.92 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
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(CCCCc2ccc3c(c2)OCO3)cc1

c1ccc(CCCCc2ccc3c(c2)OCO3)cc1

3 rings, 19 atoms.

16 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.

Macelignan suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Macelignan price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Cosmetic ingredient, INCI name MACELIGNAN(antimicrobial, antioxidant, deodorant, oral care)

Functional uses

  • Antioxidant
  • Biocide
  • Deodorizer

Cosmetic functions

  • Antimicrobial
  • Antioxidant
  • Deodorant
  • Oral care

Pharmacology

Macelignan is a lignan isolated from nutmeg with antimicrobial and anticariogenic activity against Streptococcus mutans and other streptococcus species.

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 Macelignan is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Macelignan?

4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol is a lignan.

What is the CAS number of Macelignan?

The CAS registry number of Macelignan is 107534-93-0.

What is the molecular formula and weight of Macelignan?

The molecular formula of Macelignan is C20H24O4 and its molar mass is 328.41 g/mol.

What is Macelignan used for?

Known uses and roles of Macelignan include preservatives in cosmetics and personal care, antioxidants in cosmetics and personal care, skin conditioning agents in cosmetics and personal care, antimicrobial, antioxidant and 4 more.

Is Macelignan hazardous?

No GHS hazard classification for Macelignan 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 Macelignan?

Macelignan is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Macelignan?

CompoundList lists 2 suppliers of Macelignan 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 Macelignan?

Suppliers quote Macelignan 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 Macelignan

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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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