Basic information
- CAS
83-59-0- Standard SMILES
CCCOC(=O)C1c2cc3c(cc2CC(C)C1C(=O)OCCC)OCO3- InChIKey
UEKQGZQLUMSLNW-UHFFFAOYSA-N- Molecular formula
- C20H26O6
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.17293854
Overview
Propyl isome is a naphthoic acid.
Names & identifiers
- Preferred name
- Propyl isome
- IUPAC
- dipropyl 7-methyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-5,6-dicarboxylate
- English name
- propylisome
- Molecular formula
- C20H26O6
- Molecular weight
- 362.41684
Names & synonyms
PROPYL ISOMEPropilizom83-59-03FLF8RP6LXNSC-8402dipropyl 5,6,7,8-tetrahydro-7-methylnaphtho(2,3-d)-1,3-dioxole-5,6-dicarboxylaten-propylRefChem:176499n-Propyl isomePropilizonDi-n-propylmaleate isosafrole condensateDi-n-propyl maleate-isosafrole condensate
Show more names
NSC8402propylisome1,2,3,4-Tetrahydro-3-methyl-6,7-methylenebisoxynaphthalene-1,2-dicarboxylic acid dipropylNaphtho[2,3-d]-1,3-dioxole-5,6-dicarboxylicacid, 5,6,7,8-tetrahydro-7-Methyl-, dipropyl ester1,2,3,4-Tetrahydro-3-methyl-6,7-methylenebisoxynaphthalene-1,2-dicarboxylic acid dipropyl esterdipropyl 6,7-methylenedioxy-1,2,3,4-tetrahydro-3-methylnaphthalene-1,2-dicarboxylate propylisome
dipropyl 7-methyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-5,6-dicarboxylatedipropyl 6,7-methylenedioxy-1,2,3,4-tetrahydro-3-methylnaphthalene-1,2-dicarboxylaten-PropylisomePropyl isomerN-Propyl isomerDi-n-propyl maleateCaswell No. 401NSC 8402
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- Boiling point
- 414.03 °C · 414.03°C (rough estimate)
- Density
- 1.1481 · 1.1481 (rough estimate)
- refractive index
- 1.445 · 1.4450 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 FLF8RP6LX · 3FLF8RP6LX
- EPA Substance Registry System
- Propyl isome (83-59-0)
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H311-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P273-P391-P501
- Hazard Codes
- T,N
- Risk Statements
- 22 · 22-24-50/53
- Safety Statements
- 36 · 36/37-45-60-61
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1(b)
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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Hazardous to the aquatic environment (acute) - category 1
Acute Tox. 3 *
Toxicology
Acute Toxicity LinkChemical: PROPYL ISOME
Safety data
- ridadr
- 2810
- risk_code
- 22-24-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 36/37-45-60-61
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H311-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationSYNERGISTS
Applications
UsesInsecticide synergist.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Propyl isome is a naphthoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…