Basic information
- CAS
4346-15-0- Standard SMILES
CCCC(=O)Oc1c[nH]c2ccccc12- InChIKey
DPUSLOQBAPOARC-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Overview
substrate for detection of nonspecific esterases
Names & identifiers
- Preferred name
- Butanoic acid, 1H-indol-3-yl ester
- IUPAC
- 1H-indol-3-yl butanoate
- English name
- INDOXYL BUTYRATE
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
4346-15-0Indoxyl butyrateButanoic acid, 1H-indol-3-yl esterADF524U6R4DTXSID70195856RefChem:148246DTXCID10118347224-404-31H-Indol-3-yl butyrate1H-indol-3-yl butanoate3-Butyryloxyindole3-Indoxyl butyrate
Show more names
Y-BUTYRATEY(TM)-BUTYRATE3-Indolyl butyrateRARECHEM AH BS 0050
Indol-3-yl butyrateMFCD00022718EINECS 224-404-3indol-3-yl butanoateMaybridge3_000434UNII-ADF524U6R41H-Indol-3-yl butyrate #SCHEMBL148210
Database identifiers
- CAS
4346-15-0- PubChem CID
- 78047
- DTXSID
DTXSID70195856- UNII
- ADF524U6R4
- EC Number
- 224-404-3
- Nikkaji
- J205.722K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 91 · 91-95°C
- Boiling point
- 360.1 · 360.1±15.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 15.56 · 15.56±0.30(Predicted)
- CAS DataBase Reference
- 4346 · 4346-15-0
- FDA UNII
- 524 U6R4 · ADF524U6R4
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- HS Code
- 2942000090 · 2942000090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2942000090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses3-Indoxyl Butyrate is a chromogenic substrate for CES (carboxylesterase), producing a blue precipitate upon cleavage.
Upstream & downstream products
Upstream raw materials
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
常州艾菲森化工科技有限公司18136598690 18136597130
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
深圳市金赛途生物科技有限公司0755-23251735 13302967066 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海楷森生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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