IngredientID 18656

Ethanol,2-(2-ethoxyethoxy)

C6H14O3

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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
18656
Core Entity Id
23914
Source Entity Count
1
Preferred Name
Ethanol,2-(2-ethoxyethoxy)
Name En
Pubchem Id
8146
Smiles Canonical
CCOCCOCCO
Molecular Formula
C6H14O3
Molecular Weight
134.1750
Inchikey
XXJWXESWEXIICW-UHFFFAOYSA-N
Inchi
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
Isomeric Smiles
CCOCCOCCO
Cas Id
Ob Score
Mol Logp
0.0318
Num H Donors
1
Num H Acceptors
3
Num Rotatable Bonds
6
Drug Likeness
0.5210
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Ethanol,2-(2-ethoxyethoxy)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ethanol,2-(2-ethoxyethoxy)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ethanol,2-(2-ethoxyethoxy)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
111-90-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
111-90-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2(2-Ethoxyethoxy)ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2-Ethoxyethoxy)ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
CARBITOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
CARBITOL
Role
alias
Source
HERB_v2
Preferred
No
Name
Diethylene glycol monoethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diethylene glycol monoethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Dioxitol
Role
alias
Source
HERB_v2
Preferred
No
Name
Dioxitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethoxy diglycol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethoxydiglycol
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl carbitol
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl carbitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Transcutol
Role
alias
Source
HERB_v2
Preferred
No
Name
Transcutol
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

111-90-02(2-Ethoxyethoxy)ethanol2-(2-Ethoxyethoxy)ethanolCARBITOLDiethylene glycol monoethyl etherDioxitolEthoxy diglycolEthoxydiglycolEthyl carbitolTranscutol

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN025829
Npass
NPC237965
Tcmid
40305
Pub Chem
8146
Tcmbank
TCMBANKIN002223

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
Mol Wt
134.175
Smiles
CCOCCOCCO
Mol Log P
0.03179999999999988
In Ch Ikey
XXJWXESWEXIICW-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.521
Num Hacceptors
3
Isomeric Smiles
CCOCCOCCO
Canonical Smiles
CCOCCOCCO
Herb Alias Names
Diethylene glycol monoethyl ether2-(2-Ethoxyethoxy)ethanol111-90-0CARBITOLTranscutolEthoxydiglycol2(2-Ethoxyethoxy)ethanolEthoxy diglycolEthyl carbitolDioxitol
Molecular Weight
134.17 g/mol
Molecular Formula
C6H14O3
Molecular Formula
C6H14O3
Num Rotatable Bonds
6