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1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester

HCID 33154
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
25724-58-7
Standard SMILES
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
InChIKey
OMQBXAQAHHFSST-UHFFFAOYSA-N
Molecular formula
C24H38O4
Average molar mass
390.6 g/mol
Monoisotopic mass
390.27700969

Names & identifiers

Preferred name
1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester
IUPAC
2-O-decyl 1-O-hexyl benzene-1,2-dicarboxylate
English name
decyl hexyl phthalate
Molecular formula
C24H38O4
Molecular weight
390.56

Names & synonyms

Decyl hexyl phthalate25724-58-7PHTHALIC ACID, DECYL HEXYL ESTER1,2-Benzenedicarboxylic acid, decyl hexyl esterEINECS 247-210-01,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl esterRefChem:411127247-210-02-O-decyl 1-O-hexyl benzene-1,2-dicarboxylatehexyl decyl phthalateMBY3RR7NPZn-hexyl n-decyl phthalate
Show more names
HEXYL,DECYLPHTHALATEDI(C6-10)ALKYLPHTHALATEDI(HEXYL,OCTYL,DECYL)PHTHALATEn-Hexyl Decyl Phthalate Solutionn-Hexyl decyl phthalate(Technical)Phthalic acid 1-decyl 2-hexyl ester
O2-decyl O1-hexyl benzene-1,2-dicarboxylateSCHEMBL5872351-Decyl 2-hexyl phthalate #DTXSID70874013Phthalic acid, n-decyl-n-hexyl esterAKOS030239786Decyl hexyl benzene-1,2-dicarboxylateDB-254376

Database identifiers

CAS
25724-58-7
PubChem CID
33154
DTXSID
DTXSID70874013

Properties

Computed structural properties

XLogP
9.1
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
18
Heavy atoms
28
Formal charge
0
Complexity
407

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Boiling point
417.28 °C · 417.28°C (rough estimate)
Density
0.9966 · 0.9966 (rough estimate)
refractive index
1.486 · 1.4860 (estimate)
solubility
Chloroform, Methanol (Slightly)
form
Oil
color
Colourless to Pale Yellow
Henry's Law Constant
1.6 · 1.6×102 mol/(m3Pa) at 25℃, Sa\cc (2005)
EPA Substance Registry System
Decyl hexyl phthalate (25724-58-7)
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.

Hazard information

Regulatory Information1,2-Benzenedicarboxylic acid, decyl hexyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester: ACTIVE
Applications · 1 item

UsesDecyl Hexyl 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).

Suppliers7 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]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
UNII
MBY3RR7NPZ
EC Number
247-210-0
Nikkaji
J50.509I