Basic information
- CAS
605-50-5- Standard SMILES
CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C- InChIKey
JANBFCARANRIKJ-UHFFFAOYSA-N- Molecular formula
- C18H26O4
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.18310931
Overview
isoamyl phthalate has been reported in Cryptotaenia canadensis with data available.
Names & identifiers
- Preferred name
- Diisopentyl phthalate
- IUPAC
- bis(3-methylbutyl) benzene-1,2-dicarboxylate
- English name
- diisopentyl phthalate
- Molecular formula
- C18H26O4
- Molecular weight
- 306.4
Names & synonyms
Diisopentyl phthalate605-50-5Isoamyl phthalateBis(3-methylbutyl) phthalatebis(3-methylbutyl) benzene-1,2-dicarboxylatePalatinol DIPPNSC 17070UNII-WPN6M4ZUIFWPN6M4ZUIFEINECS 210-088-4BRN 2134957AI3-04281
Show more names
DIAPDiisoamylphthalateDiisoamyl phthalate SolutionPhthalic acid diisoamyl esterPhthalic acid diisopentyl ester
NSC-17070ISOAMYL PHTHALATE [MI]DTXSID80209236EC 210-088-44-09-00-03179 (Beilstein Handbook Reference)1,2-Benzenedicarboxylic Acid 1,2-Bis(3-methylbutyl) EsterDiisopentyl phthalic acidRefChem:134061
Database identifiers
- CAS
605-50-5- PubChem CID
- 69059
- DTXSID
DTXSID80209236- UNII
- WPN6M4ZUIF
- EC Number
- 210-088-4
- Nikkaji
- J6.822E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 334 °C · 334 °C (decomp)
- Boiling point
- 40 · bp40 225°
- Density
- 1.028 · 1.028
- vapor pressure
- 0.025 Pa · 0.025Pa at 25℃
- refractive index
- 1.4871 · 1.4871 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid
- Appearance
- Colorless to light yellow Liquid
- Major Application
- environmental
- InChI
- InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
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
H360FD: May damage fertility; May damage the unborn child [Danger Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Danger
H360 (99.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Hazard Traits - Reproductive Toxicity
REACH registered substance: Diisopentyl phthalate (EC: 210-088-4)
Substance: Diisopentyl phthalate
Hazard Classes and Categories
Repr. 1B (99.1%)
Reproductive toxicity - category 1B
Repr. 1B
Safety data
- wgk
- WGK 3
- ridadr
- 3082
- hs_code
- 29173410
- risk_code
- 61-60-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 53-61
- Storage Class
- 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Hazard Classifications
Chemistry & industry
Applications
UsesOne of the several phthalate esters which showed clear fetotoxicity, embryolethality and teratogenicity.
UsesPlasticizer for nitrocellulose and resin lacquers; preventing foam in manufacture of glue; in rubber cements.
Suppliers60 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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