Basic information
- CAS
61827-62-1- Standard SMILES
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC- InChIKey
LZCTXAGBGKLUBX-UHFFFAOYSA-N- Molecular formula
- C22H34O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.24570956
Overview
Hexyl octyl phthalate has been reported in Eleutherococcus sessiliflorus with data available.
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester
- IUPAC
- 1-O-hexyl 2-O-octyl benzene-1,2-dicarboxylate
- English name
- hexyl octyl phthalate
- Molecular formula
- C22H34O4
- Molecular weight
- 362.5
Names & synonyms
EINECS 263-255-91,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl esterRefChem:411131Hexyl octyl phthalate61827-62-11,2-Benzenedicarboxylic acid, hexyl octyl ester1-O-hexyl 2-O-octyl benzene-1,2-dicarboxylatePhthalic acid, hexyl octyl ester1,2-Benzenedicarboxylic Acid, 1-Hexyl 2-Octyl Ester; 1,2-Benzenedicarboxylic Acid Hexyl Octyl Ester1,2-Benzenedicarboxylicacid, 1-hexyl 2-octyl ester1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL ESTERphthalic acid hexyl octyl ester
Show more names
Hexy Octyl Phthalaten-Hexyl-n-octyl phthalaten-Hexyl n-octyl phthalate in isooctane1-Hexyl 2-octyl 1,2-benzenedicarboxylate1,2-Benzenedicarboxylic acid 1-hexyl 2-octyl ester
SCHEMBL7537789DTXSID9069508AKOS028110756Hexyl octyl benzene-1,2-dicarboxylateDB-319653NS00034805Q63409577
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 396.865 · 396.865±10.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- EPA Substance Registry System
- 1 · 1,2-Benzenedicarboxylic acid, hexyl octyl ester (61827-62-1)
- 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-hexyl 2-octyl ester: ACTIVE
Applications
Useshexyl octyl phthalate 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).
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [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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