Basic information
- CAS
12224-98-5- Standard SMILES
CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C- InChIKey
BRIVWQJCHBUVLE-UHFFFAOYSA-N- Molecular formula
- C28H31N2O3+
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.23346786
Overview
C.i. pigment red 81 is a dark pink powder. (NTP, 1992)
Names & identifiers
- Preferred name
- rhodamine 6G cation
- IUPAC
- [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium
- English name
- Orange 1
- Molecular formula
- C28H31N2O3+
- Molecular weight
- 443.57
Names & synonyms
rhodamine 6G cation12224-98-547724-48-1[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium63022-06-0923TYK19HG9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthyliumXanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate63022-07-1Rhodamine 6G perchlorateXanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicateRHQ
Show more names
Hansa orangeRhodamine 590Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-(ethylimino)-2,7-dimethyl-9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium2,7-Dimethyl-3,6-bis(ethylamino)-9-[2-(ethoxycarbonyl)phenyl]xanthylium
Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatephosphateXanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatephosphaterhodamine 6G(1+)EINECS 263-793-4UNII-923TYK19HGCCRIS 6093EINECS 235-424-7EINECS 263-795-5
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 823
Experimental & physicochemical properties
Solubility1 to 5 mg/mL at 65.3 °F (NTP, 1992)
Physical DescriptionC.i. pigment red 81 is a dark pink powder. (NTP, 1992)
Physicochemical properties
- FDA UNII
- 923 TYK19HG · 923TYK19HG
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
This chemical does not meet GHS hazard criteria for 70% (140 of 200) of all reports.
Danger
H318 (21%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 200 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (1:?) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (EC: 263-793-4)
REACH registered substance: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (EC: 235-424-7)
C.I. Pigment red 81: Does not have an individual approval but may be used under an appropriate group standard
Xanthylium, 9-2-(ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate: 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.
Xanthylium, 9-2-(ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatephosphate: 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.
Fire Hazards
Chemistry & industry
Uses & manufacturing
Uses
It is often used as a tracer dye within water to determine the rate and direction of flow and transport. Rhodamine dyes fluoresce and can thus be detected easily and inexpensively with instruments called fluorometers. Rhodamine dyes are used extensively in biotechnology applications such as fluorescence microscopy, flow cytometry, fluorescence correlation spectroscopy and ELISA.
U.S. Production2021: 21,830 lb
General Manufacturing Information
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate: ACTIVE
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate (1:?): ACTIVE
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatephosphate (1:?): ACTIVE
Additional notes
DefinitionChEBI: A cationic fluorescent dye derived from 9-phenylxanthene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…