Isopropyl anthranilate
Basic information
- CAS
18189-02-1- Standard SMILES
CC(C)OC(=O)c1ccccc1N- InChIKey
XKOZHFJYXAQZJX-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Isopropyl anthranilate
- IUPAC
- propan-2-yl 2-aminobenzoate
- English name
- ISOPROPYL ANTHRANILATE
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
Isopropyl anthranilateIsopropyl 2-aminobenzoatepropan-2-yl 2-aminobenzoateBenzoic acid, 2-amino-, 1-methylethyl esterAnthranilic acid, isopropyl esterHMH3887MNJEINECS 242-074-9AI3-02577DTXSID90663342-AMINOBENZOIC ACID ISOPROPYL ESTERRefChem:149809DTXCID6035782
Show more names
Anthanilic acid isopropyl ester2-Aminobenzoic acid 1-methylethyl esterBenzoic acid, 2-aMino-,1-Methylethyl esterN-(9H-fluoren-2-yl)-1-(1-naphthalenyl)methanimine
242-074-9XKOZHFJYXAQZJX-UHFFFAOYSA-N18189-02-1iso-propyl anthranilateMFCD00060604Isopropyl 2-amino-benzoatemethylethyl 2-aminobenzoateUNII-HMH3887MNJ
Database identifiers
- CAS
18189-02-1- PubChem CID
- 87499
- DTXSID
DTXSID9066334- UNII
- HMH3887MNJ
- EC Number
- 242-074-9
- Nikkaji
- J110.730E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 64 · 64-65°C
- Boiling point
- 270.5 · 270.5-272.4 °C
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- 2.18 · 2.18±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. neroli hawthorn honey floral
- Odor Type
- floral
- LogP
- 3.042 · 3.042 (est)
- FDA UNII
- 3887 MNJ · HMH3887MNJ
- EPA Substance Registry System
- 2 · Benzoic acid, 2-amino-, 1-methylethyl ester (18189-02-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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, 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
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-amino-, 1-methylethyl ester: INACTIVE
Suppliers
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Related reactions
2 records
Compound notes
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