Basic information
- CAS
2747-05-9- Standard SMILES
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1- InChIKey
HXVZGASCDAGAPS-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Overview
4-methylumbelliferyl acetate is an acetate ester consiting of umbelliferone carrying a 7-O-acetyl group. It has a role as a plant metabolite. It is a member of coumarins and an acetate ester. It is functionally related to an umbelliferone.
Names & identifiers
- Preferred name
- 4-Methylumbelliferyl acetate
- IUPAC
- (4-methyl-2-oxochromen-7-yl) acetate
- English name
- 7-Acetoxy-4-methylcoumarin
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
7-Acetoxy-4-methylcoumarin4-methylumbelliferyl acetate2747-05-94-Methyl-2-oxo-2H-chromen-7-yl acetate2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-methyl-beta-Methylumbelliferyl acetateDTXSID70181895ZD294D576MNSC-1059NSC-31658NSC-44763CHEBI:17763
Show more names
7-ACETYL-4-METHYLCOUMARIN4-Methylumbeliferyl acetateMU-ACMUACETATEMUB ACETATE4-MU-ACETATEACETYL HYMETOCHROME7-Aceoxy-4-MethylcouMarinMETHYLUMBELLIFERYL ACETATE
7AMC4-MUARefChem:99958DTXCID10104386220-386-6Hymecromone Acetate(4-methyl-2-oxochromen-7-yl) acetateMFCD00006865
Database identifiers
- CAS
2747-05-9- PubChem CID
- 366
- DTXSID
DTXSID70181895- ChEMBL
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Melting Point153 - 154 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 149 · 149-150 °C(lit.)
- Boiling point
- 278.88 °C · 278.88°C (rough estimate)
- Density
- 1.1096 · 1.1096 (rough estimate)
- refractive index
- 1.427 · 1.4270 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- BRN
- 189667 · 189667
- InChI
- InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- F
- 8-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2932209090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesFluorogenic substrate for esterases, broadly applied to various types of esterases., including carboxyesterases. Measurement of intracellular pH in rat proximal convoluted tubule.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers99 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
1 records
Compound notes
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