Basic information
- CAS
18319-92-1- Standard SMILES
CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1- InChIKey
FFNBFZWIBOIPIV-UHFFFAOYSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Overview
4-Methylumbelliferyl heptanoate is a member of coumarins.
Names & identifiers
- Preferred name
- 4-Methylumbelliferyl heptanoate
- IUPAC
- (4-methyl-2-oxochromen-7-yl) heptanoate
- English name
- 4-Methylumbelliferyl heptanoate
- Molecular formula
- C17H20O4
- Molecular weight
- 288.34
Names & synonyms
4-Methylumbelliferyl heptanoate18319-92-1Heptanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester4-methylumbelliferone heptanoateDTXSID10663624-MUHRefChem:99962DTXCID9035832242-207-04-methyl-2-oxo-2h-chromen-7-yl heptanoate(4-methyl-2-oxochromen-7-yl) heptanoateMFCD00037611
Show more names
4-MU-HEPTANOATEMethylumbelliferyl Heptanoate4-Methylumbelliferyl heptanoat4-MethylumbelliferylHeptanoateA.R.4-Methylumbelliferyl heptanoate ,98%(4-methyl-2-oxochromen-7-yl)heptanoate
4-Methyl-2-oxo-2H-1-benzopyran-7-yl heptanoate4-methyl-2-oxo-2h-chromen-7-ylheptanoate(4-Methyl-2-oxo-chromen-7-yl) heptanoate4-Methylumbelliferyl enanthateHeptanoic acid 4-methylumbelliferyl ester7-Heptanoyl-4-methylumbelliferoneFFNBFZWIBOIPIV-UHFFFAOYSA-NEINECS 242-207-0
Database identifiers
- CAS
18319-92-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 41 · 41-42 °C(lit.)
- Boiling point
- 429 · 429.0±40.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- 50 mg/mL, · pyridine: 50mg/mL, clear, colorless to faintly yellow
- form
- powder
- BRN
- 1256801 · 1256801
- InChI
- 1S/C17H20O4/c1-3-4-5-6-7-16(18)20-13-8-9-14-12(2)10-17(19)21-15(14)11-13/h8-11H,3-7H2,1-2H3
- InChIKey
- FFNBFZWIBOIPIV-UHFFFAOYSA-N
- SMILES
- CCCCCCC(=O)Oc1ccc2C(C)=CC(=O)Oc2c1
- CAS DataBase Reference
- 18319 · 18319-92-1(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · 4-Methylumbelliferyl heptanoate (18319-92-1)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 32 · NA.32
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29321900
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester: ACTIVE
Applications
Uses4-Methylumbelliferyl Heptanoate can be used as a biological indicator of sterilization.
UsesFluorogenic substrate for lipases.
Upstream & downstream products
Upstream raw materials
Suppliers29 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Syntechem Co.,Ltd[email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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