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Decyl hexyl adipate

HCID 89798
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
22707-35-3
Standard SMILES
CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC
InChIKey
QKZWHBZWJOJJHF-UHFFFAOYSA-N
Molecular formula
C22H42O4
Average molar mass
370.6 g/mol
Monoisotopic mass
370.30830982

Names & identifiers

Preferred name
Decyl hexyl adipate
IUPAC
6-O-decyl 1-O-hexyl hexanedioate
English name
decyl hexyl adipate
Molecular formula
C22H42O4
Molecular weight
370.56648

Names & synonyms

Decyl hexyl adipate22707-35-3Hexanedioic acid, decyl hexyl esterEINECS 245-165-1Hexanedioic acid, 1-decyl 6-hexyl esterDTXSID5066821RefChem:585577DTXCID3036739245-165-1Adipic acid, decyl hexyl esterDECYL HEXYL HEXANEDIOATESCHEMBL2976421
Show more names
6-O-decyl 1-O-hexyl hexanedioateHexanedioic acid 1-decyl 6-hexyl ester
DB-254375NS00027242

Database identifiers

CAS
22707-35-3
PubChem CID
89798
DTXSID
DTXSID5066821
EC Number
245-165-1
Nikkaji
J286.276J

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
21
Heavy atoms
26
Formal charge
0
Complexity
328

Physicochemical properties

LogP
8.083 · 8.083 (est)
EPA Substance Registry System
Decyl hexyl adipate (22707-35-3)
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 InformationHexanedioic acid, 1-decyl 6-hexyl ester: INACTIVE

Suppliers2 total

梯希爱(上海)化工贸易有限公司021-61109150 · [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