Basic information
- CAS
1515-72-6- Standard SMILES
CCCCN1C(=O)c2ccccc2C1=O- InChIKey
DLKDEVCJRCPTLN-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- N-Butylphthalimide
- IUPAC
- 2-butylisoindole-1,3-dione
- English name
- N-Butylphthalimide
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
Show more names
Database identifiers
- CAS
1515-72-6- PubChem CID
- 73812
- DTXSID
DTXSID8044591- ChEMBL
CHEMBL79250- UNII
- 5TH1DKT35E
- EC Number
- 216-157-5
- Nikkaji
- J151.140H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 29 · 29-33 °C
- Boiling point
- 120 · 120-123°C 5mm
- Density
- 1.1255 · 1.1255 (rough estimate)
- refractive index
- 1.526 · 1.5260 (estimate)
- Flash point
- 120 · 120-123°C/5mm
- storage temp.
- Store at room temperature
- pka
- -2.09 · -2.09±0.20(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- BRN
- 147784 · 147784
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGPLASTICISER
- InChI
- InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
- InChIKey
- DLKDEVCJRCPTLN-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(=O)N1CCCC
- LogP
- 3.15 · 3.150 (est)
- CAS DataBase Reference
- 1515 · 1515-72-6(CAS DataBase Reference)
- FDA UNII
- 5 TH1DKT35E · 5TH1DKT35E
- EPA Substance Registry System
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-butyl- (1515-72-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 24 · 24/25-39-26
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HS Code
- 29251900 · 29251900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 12.1% (8 of 66) of reports.
Warning
H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Isoindole-1,3(2H)-dione, 2-butyl-
1H-Isoindole-1,3(2H)-dione, 2-butyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-butyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1H-Isoindole-1,3(2H)-dione, 2-butyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29251900
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Textiles, apparel, and leather manufacturing
1H-Isoindole-1,3(2H)-dione, 2-butyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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