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Tetraethylene glycol diheptanoate

HCID 51154
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
70729-68-9
Standard SMILES
CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC
InChIKey
SSKNCQWPZQCABD-UHFFFAOYSA-N
Molecular formula
C22H42O7
Average molar mass
418.6 g/mol
Monoisotopic mass
418.29305367

Names & identifiers

Preferred name
Tetraethylene glycol diheptanoate
IUPAC
2-[2-[2-(2-heptanoyloxyethoxy)ethoxy]ethoxy]ethyl heptanoate
English name
oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bisheptanoate
Molecular formula
C22H42O7
Molecular weight
418.56

Names & synonyms

TegdhTetraethylene glycol diheptanoate70729-68-9Tetraethylene glycol di-n-heptanoate2DQ7O61VHJDTXSID6028995HEPTANOIC ACID, OXYBIS(2,1-ETHANEDIYLOXY-2,1-ETHANEDIYL) ESTERRefChem:188576DTXCID308995Oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bisheptanoate2-[2-[2-(2-heptanoyloxyethoxy)ethoxy]ethoxy]ethyl heptanoate((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) diheptanoate
Show more names
PEG-4 DIHEPTANOATETetraethylenglykoldiheptanoatTetraethylene glycol dienanthate2,2'-[Oxybis(2,1-ethanediyloxy)]bis(ethanol heptanoate)Oxybis(ethane-2,1-diyl)]bis(oxy)]bis(ethane-2,1-diyl) DiheptanoateHeptanoic acid,1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester
[[Oxybis(ethane-2,1-diyl)]bis(oxy)]bis(ethane-2,1-diyl) DiheptanoateTetraethylene glycol-di-n-heptanoateEINECS 274-829-3UNII-2DQ7O61VHJBRN 2011337SCHEMBL32939MFCD017237552-(2-{2-[2-(HEPTANOYLOXY)ETHOXY]ETHOXY}ETHOXY)ETHYL HEPTANOATE

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
24
Heavy atoms
29
Formal charge
0
Complexity
340

Experimental & physicochemical properties

CosmeticsEmulsifying

Physicochemical properties

Boiling point
456.3 °C · 456.3°C (rough estimate)
Density
1.0735 · 1.0735 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
Cosmetics Ingredients Functions
SURFACTANT - EMULSIFYING
Cosmetic Ingredient Review (CIR)
oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bisheptanoate (70729-68-9)
EWG's Food Scores
1 · 1-3
FDA UNII
2 DQ7O61VHJ · 2DQ7O61VHJ
EPA Substance Registry System
Tetraethylene glycol diheptanoate (70729-68-9)
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.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Heptanoic acid, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester

Heptanoic acid, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Emulsifying
General Manufacturing InformationHeptanoic acid, 1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester: ACTIVE

Suppliers4 total

北京华美互利生物化工010-56205725 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
70729-68-9
PubChem CID
51154
DTXSID
DTXSID6028995
EC Number
274-829-3
Nikkaji
J106.356A