Flurenol-butyl
Basic information
- CAS
2314-09-2- Standard SMILES
CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21- InChIKey
PSGPXWYGJGGEEG-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- Flurenol-butyl
- IUPAC
- butyl 9-hydroxyfluorene-9-carboxylate
- English name
- Flurenol-butyl
- Molecular formula
- C18H18O3
- Molecular weight
- 282.33
Names & synonyms
Flurenol-butyl2314-09-2FLURECOL-BUTYLButyl 9-hydroxyfluorene-9-carboxylateFlurenol-butyl esterFlurenol esterFlurenol n-butyl esterFlurenol-n-butyl esterButyl 9-hydroxy-9H-fluorene-9-carboxylateMorphactin IT 3233TH 407-HIT 3233
Show more names
Anitenit3233th407-hemd7311wEMD 7311 Wflurenolesterbutylflurenol
Butyl 9-hydroxyfluorenyl-9-carboxylateFlurecol [BSI]Caswell No. 130BEMD 7311W9-Hydroxyfluorene-9-Carboxylic acid butyl esterEINECS 219-011-9Flurenol butyl esterEPA Pesticide Chemical Code 230300
Database identifiers
- CAS
2314-09-2- PubChem CID
- 40816
- DTXSID
DTXSID5041986- UNII
- 54FU8JOO5Q
- EC Number
- 219-011-9
- Nikkaji
- J7.394F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 70 °C · 70°C
- Boiling point
- 384.95 °C · 384.95°C (rough estimate)
- Density
- 1.1181 · 1.1181 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- pka
- 11.15 · 11.15±0.20(Predicted)
- Water Solubility
- 3.65 g/L · 3.65g/L(20 ºC)
- CAS DataBase Reference
- 2314 · 2314-09-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 54 FU8JOO5Q · 54FU8JOO5Q
- NIST Chemistry Reference
- Flurenol-n-butyl ester(2314-09-2)
- EPA Substance Registry System
- Flurenol-butyl (2314-09-2)
- Symbol(GHS)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- rtecs
- LL6490000
- hs_code
- 29181990
- Toxicity
- dog,LD50,oral,> 5gm/kg (5000mg/kg),"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 81, 1969.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H335-H319-H412
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501
Related reactions
1 records
Compound notes
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