Esculetin
Also known as 6,7-Dihydroxycoumarin, Aesculetin, 6,7-Dihydroxy-2H-chromen-2-one
Key facts
What buyers check first
- CAS number
- 305-01-1
- Formula
- C9H6O4
- Molar mass
- 178.14 g/mol
- EC number
- 206-161-5
- HS code
- 293220
- Category
- UV filters
What is Esculetin?
Plain description, key identifiers and synonyms
Esculetin is a hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. It has a role as an antioxidant, an ultraviolet filter and a plant metabolite.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 6,7-dihydroxychromen-2-one
- CAS number
- 305-01-1 CAS number cross-checkedOther or deprecated CAS: 91753-33-2
- EC number
- 206-161-5
- Molecular formula
- C9H6O4
- UNII
- SM2XD6V944
- MDL number
- MFCD00006874
- INCI name
- ESCULETIN
- InChIKey
- ILEDWLMCKZNDJK-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
- SMILES (canonical and isomeric)
- C1=CC(=O)OC2=CC(=C(C=C21)O)O
Synonyms
- 6,7-Dihydroxycoumarin
- Aesculetin
- 6,7-Dihydroxy-2H-chromen-2-one
- Cichorigenin
- Cichoriin aglucon
- Esculin aglucon
- Esculin aglycon
- Cichoriin aglycon
- 6,7-dihydroxychromen-2-one
- 6,7-Dihydroxy-2H-1-benzopyran-2-one
- Esculetol
- Esculatin
- 2H-1-Benzopyran-2-one, 6,7-dihydroxy-
- Asculetine
- 6,7-Dihydroxy-2-benzopyrone
- 2,6-Dihydroxy-7H-chromen-7-one
- Coumarin, 6,7-dihydroxy-
- 6,7-bis(oxidanyl)chromen-2-one
- 6,7-dihydroxy-1-benzopyran-2-one
- Coumarin, 6,7-dihydroxy- Esculetin
- Esculetin [Matrix for MALDI-TOF/MS]
- 6,7-Dihydroxycoumarin (Esculetin)
- eculetin
- Cicheringenin
- 6,7-Dihydroxy-2-chromenone
Show all 35 synonymsShow fewer synonyms
- Cichorigenin,
- Aesculetin,
- Esculetin,
- Esculetin CRS
- 6,7-hydroxycoumarin
- Esculetin (Standard)
- Aesculetin (cichorigenin
- 6,7-dihydroxy-coumarin
- 6,7-Dihydroxycoumarin,
- 6,7-dihydroxychromen-2
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 | 178.14 g/molcalc.Computed value |
|---|---|
| Exact mass | 178.0266 Dacalc.Computed value |
| LogP (octanol/water) | 1.2calc.Computed value |
| Topological polar surface area | 70.67 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 13calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=c1ccc2ccccc2o1
2 rings, 11 atoms, the Coumarin ring system.
3,845 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
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 aidEsculetin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- India, Hyderabad ManufacturerUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- China, ChengduUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- China, Lianyungang ManufacturerUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- China, Xi'anUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- ThailandUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- Price on request
- China, NanjingUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
- Spain, BarcelonaUnclaimed profileEsculetinGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
71 suppliers in 14 countries
- China33
- United States21
- Hong Kong3
- Germany2
- United Kingdom2
- Spain1
- and 8 more countries
Send one request to many suppliers
Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.
Esculetin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name ESCULETIN(skin conditioning)
Pharmacological actions
- Antioxidants
Roles
- antioxidant
- eukaryotic metabolite
- metabolite
- photochemical role
- plant metabolite
- ultraviolet filter
Functional uses
- Softener and conditioner
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 Esculetin is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for Esculetin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Esculetin, based on the data on this page
What is Esculetin?
What is the CAS number of Esculetin?
What is the molecular formula and weight of Esculetin?
What is Esculetin used for?
Is Esculetin hazardous?
What is the HS code of Esculetin?
Where can I buy Esculetin?
Where can I buy Esculetin in India?
What is the price of Esculetin?
Guides for buyers
Practical guides that help when you source, ship or handle Esculetin
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
Get quotes for Esculetin
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Esculetin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/esculetin-305-01-1" title="Esculetin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in UV filters or HS code 293220