Basic information
- CAS
5334-09-8- Standard SMILES
CC(C)COC(=O)c1ccccc1C(=O)OC1CCCCC1- InChIKey
ACVHLWLOORYJEE-UHFFFAOYSA-N- Molecular formula
- C18H24O4
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.16745925
Names & identifiers
- Preferred name
- Cyclohexyl 2-isobutyl phthalate
- IUPAC
- 2-O-cyclohexyl 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
- English name
- Phthalic acid 1-cyclohexyl 2-isobutyl ester
- Molecular formula
- C18H24O4
- Molecular weight
- 304.38
Names & synonyms
Cyclohexyl 2-isobutyl phthalate5334-09-8Phthalic acid, cyclohexyl isobutyl esterUQ2DXY88FPNSC-2387UNII-UQ2DXY88FPNSC-67410DTXSID4063793NSC 2387EINECS 226-250-2NSC 674101,2-Benzenedicarboxylic acid, cyclohexyl 2-methylpropyl ester
Show more names
ACVHLWLOORYJEE-UHFFFAOYSA-NIsobutyl Cyclohexyl Phthalate SolutionIsobutylcyclohexyl phthalate (Tech Mix)Phthalic acid 1-cyclohexyl 2-isobutyl ester
AI3-111051,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-(2-methylpropyl) ester1-CYCLOHEXYL 2-(2-METHYLPROPYL) 1,2-BENZENEDICARBOXYLATERefChem:129670DTXCID8041408Phthalic acid, cyclohexyl isobutyl ester (8CI)226-250-2Phthalic Acid Cyclohexyl Isobutyl Ester
Database identifiers
- CAS
5334-09-8- PubChem CID
- 79253
- DTXSID
DTXSID4063793- UNII
- UQ2DXY88FP
- EC Number
- 226-250-2
- Nikkaji
- J217.893A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 381 · 381.0±15.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Hexanes
- form
- Oil
- color
- Pale Yellow
- FDA UNII
- 2 DXY88FP · UQ2DXY88FP
- EPA Substance Registry System
- 2 · Cyclohexyl 2-isobutyl phthalate (5334-09-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-(2-methylpropyl) ester: INACTIVE
Applications
UsesPhthalic Acid Cyclohexyl Isobutyl Ester is an phthalate esters used as plasticizers and additives. Used in toxiciology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM).
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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