nvs-vocabs / S27

BODC parameter semantic model chemical substances
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NTR: 62 New S27 terms required #28

Closed danibodc closed 3 months ago

danibodc commented 4 months ago

This relates to P01 request https://github.com/nvs-vocabs/P01/issues/246

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Requested Term Name | Proposed PrefLabel | CAS Registry Number | Definition -- | -- | -- | -- 1,3-Dimethylnaphthalene | 1,3-dimethylnaphthalene | 575-41-7 | An isomer of dimethylnaphthalene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1 and 3. 2,3-Dimethylnaphthalene | 2,3-dimethylnaphthalene | 581-40-8 | An isomer of dimethylnaphthalene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 2 and 3. 1,4-Dimethylnaphthalene | 1,4-dimethylnaphthalene | 571-58-4 | An isomer of dimethylnaphthalene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1 and 4. Dibenzofuran | dibenzofuran | 132-64-9 | A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. 1,3,7-Trimethylnaphthalene | 1,3,7-trimethylnaphthalene | 2131-38-6 | An isomer of trimethylnapthalene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1, 3 and 7. 1,2,3-Trimethylnaphthalene | 1,2,3-trimethylnaphthalene | 879-12-9 | An isomer of trimethylnapthalene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1, 2 and 3. 1,4,6,7-Tetramethylnaphthalene | 1,4,6,7-trimethylnaphthalene | 13764-18-6 | An isomer of tetramethylnapthalene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1, 4, 6 and 7. 1,2,5,6-Tetramethylnaphthalene | 1,2,5,6-trimethylnaphthalene | 2131-43-3 | An isomer of tetramethylnapthalene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1, 2, 5 and 6. 1-Methylfluorene | 1-methylfluorene | 1730-37-6 | Derived from fluorene, a naturally occurring hydrocarbon found in coal tar, with molecular formula C14H12. 4-Methyldibenzothiophene | 4-methyldibenzothiophene | 7372-88-5 | An isomer of methyldibenzothiophene (MDBT), carrying a methyl group at position 4. 9-Methylphenanthrene | 9-methylphenanthrene | 883-20-5 | A polycyclic aromatic hydrocarbon with molecular formula C15H12. 4-Ethyldibenzothiophene | 4-ethyldibenzothiophene | 89816-99-9 | An alkyldibenzothiophene present in crude oil with molecular formula of C14H12S. 4-Propyldibenzothiophene | 4-propyldibenzothiophene | 132034-86-7 | A derivative of dibenzothiophene commonly found in petroleum fractions, with molecular formula of C15H14S. (1,5+1,7)-Dimethylphenanthrenes | 1,5-dimethylphenanthrene+1,7-dimethylphenanthrene | 66271-87-2 + 483-87-4 | A mixture (or sum) of the specified dimethylphenanthrenes (polycylic aromatic hydrocarbons). 1,5-Dimethylphenanthrene | 1,5-dimethylphenanthrene | 66271-87-2 | An isomer of dimethylphenanthrene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1 and 5. 1,7-Dimethylphenanthrene | 1,7-dimethylphenanthrene | 483-87-4 | An isomer of dimethylphenanthrene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1 and 7. 1,2-Dimethylphenanthrene | 1,2-dimethylphenanthrene | 20291-72-9 | An isomer of dimethylphenanthrene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1 and 2. 2,6,9-Trimethylphenanthrene | 2,6,9-trimethylphenanthrene | 66271-32-7 | An isomer of trimethylphenanthrene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 2, 5 and 9. 1,2,6-Trimethylphenanthrene | 1,2,6-trimethylphenanthrene | 30436-55-6 | An isomer of trimethylphenanthrene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1, 2 and 6. (1,2,5+1,2,7)-Trimethylphenanthrenes | 1,2,5-trimethylphenanthrene+1,2,7-trimethylphenanthrene | 146448-87-5 + 60490-68-8 | A mixture (or sum) of the specified trimethylphenanthrenes (polycylic aromatic hydrocarbons). 1,2,7-Trimethylphenanthrene | 1,2,7-trimethylphenanthrene | 60490-68-8 | An isomer of trimethylphenanthrene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1, 2 and 7. 1,2,6,9-Tetramethylphenanthrene | 1,2,6,9-tetramethylphenanthrene | 204256-39-3 | An isomer of tetramethylphenanthrene (a polycylic aromatic hydrocarbon) carrying methyl groups at positions 1, 2, 6 and 9. 6-Ethylchrysene | 6-ethylchrysene | 2732-58-3 | A persistent organic pollutant (POP). It is a derivative of chrysene with molecular formula C20H16. 6-Propylchrysene | 6-propylchrysene | 6910-41-4 | A persistent organic pollutant (POP). It is a derivative of chrysene with molecular formula C21H18. THC (Total hydrocarbon content) | total hydrocarbons |   | A mixture of unspecified hydrocarbon congoners. BDE49+BDE71 | 2,2',4,5'-tetrabromodiphenyl ether+2,3',4',6-tetrabromodiphenyl ether | 243982-82-3 + 189084-62-6 | A mixture of congeners of polybrominated diphenyl ethers (PBDE). BDE 118 | 2,3',4,4',5-pentabromodiphenyl ether | 446254-80-4 | One of 209 congeners of polybrominated diphenyl ether (PBDE). BDE 195 | 2,2',3,3',4,4',5,6-octabromodiphenyl ether | 446255-38-5 | One of 209 congeners of polybrominated diphenyl ether (PBDE). Siloxane D4 | octamethylcyclotetrasiloxane | 556-67-2 | An organosilicon compound and a cyclosiloxane with molecular formula C8H24O4Si4. Siloxane D5 | decamethylcyclopentasiloxane | 541-02-6 | An organosilicon compound and a cyclosiloxane with molecular formula C10H30O5Si5. Siloxane D6 | dodecamethylcyclohexasiloxane | 540-97-6 | An organosilicon compound and a cyclosiloxane with molecular formula C12H36O6Si6. LCCP | chloroalkanes C18-28 | 85535-86-0 | Long-chain chlorinated paraffins (SCCP) with molecular formula of the form CxH(2x-y+2)Cly, where x = 18-28 and y = 1-28. TEP (Triethyl phosphate) | triethyl phosphate | 78-40-0 | An organophosphorus flame retardant and plasticizer with molecular formula  C6H15O4P. TPrP (Tripropyl phosphate) | tripropyl phosphate | 513-08-6 | An organophosphorus flame retardant and plasticizer with molecular formula C9H21O4P. TiBP (Triisobutyl phosphate) | triisobutyl phosphate | 126-71-6 | An organophosphorus flame retardant and plasticizer with molecular formula C12H27O4P. TiBP+TnBP (Triisobutyl phosphate + Tri(n-butyl) phosphate) | triisobutyl phosphate+tributyl phosphate | 126-71-6 + 126-73-8 | A mixture (or sum) of the specified organophosphates. BdPhP (Butyl Diphenyl phosphate) | butyl diphenyl phosphate | 2752-95-6 | A phosphorus flame retardant with molecular formula C16H19O4P. DBPP (Dibutyl phenyl phosphate) | dibutyl diphenyl phosphate | 2528-36-1 | A phosphorus flame retardant with molecular formula C14H23O4P. TDCPP (Tris(1,3-dichloro-2-propyl) phosphate) | tris(1,3-dichloro-2-propyl) phosphate | 13674-87-8 | A chlorinated organophosphate with molecular formula C9H15Cl6O4P. TCP (Tricresyl phosphate) | tricresyl phosphate | 78-32-0 | An organophosphate flame retardant metabolite with molecular formula C21H21O4P. EHDP (2-Ethylhexyl diphenyl phosphate) | 2-ethylhexyl diphenyl phosphate | 1241-94-7 | An aryl phosphate flame retardant, an additive or a plasticizer with molecular formula C20H27O4P. TEHP (Tris(2-ethylhexyl) phosphate) | tris(2-ethylhexyl) phosphate | 78-42-2 | A phosphorus flame retardant and plasticizer with molecular formula C24H51O4P. TXP (Trixylyl phosphate) | trixylyl phosphate | 25155-23-1 | An organophosphorus flame retardant and plasticizer with molecular formula C8H11O4P. TIPPP (Trisisopropyltrisphenyl phosphate) | trisisopropyltrisphenyl phosphate | 68937-41-7 |   TTBPP (Tris(4-Tert-butylphenyl)phosphate) | tris(4-tert-butylphenyl)phosphate | 78-33-1 | An organophosphorus flame retardant and plasticizer with molecular formula C30H39O4P. 2-IPPDPP (2-isopropylphenyl diphenyl phosphate) | 2-isopropylphenyl diphenyl phosphate | 64532-94-1 | An organophosphorus flame retardant and plasticizer with molecular formula C21H21O4P. 4-IPPDPP (4-isopropylphenyl diphenyl phosphate) | 4-isopropylphenyl diphenyl phosphate | 55864-04-5 | An organophosphorus flame retardant and plasticizer with molecular formula C21H21O4P. B4IPPPP+isomerer (Bis(4-isopropylphenyl) phenyl phosphate with isomers) | bis(4-isopropylphenyl) phenyl phosphates | 55864-07-8 | Mixture (or sum) of undifferentiated bis(4-isopropylphenyl) phenyl phosphate isomers with molecular formula C24H27O4P. 4-tert-Octylphenol monoethoxylate | 4-tert-Octylphenol monoethoxylate | 2315-67-5 | Chemical substance belonging to a group of chemical compounds used in the petrochemical or plastic manufacturing industry as e.g. UV stabilizers, antioxydants or their derivatives. 4-tert-Octylphenol diethoxylate | 4-tert-Octylphenol diethoxylate | 2315-61-9 | Chemical substance belonging to a group of chemical compounds used in the petrochemical or plastic manufacturing industry as e.g. UV stabilizers, antioxydants or their derivatives. PFPS (Perfluoropentanesulfonic acid) | perfluoropentanesulfonic acid | 2706-91-4 | A perfluorinated (organofluorine) compound (PFC). PFNS (Perfluorononanesulfonic acid) | perfluorononanesulfonic acid | 68259-12-1 | A perfluorinated (organofluorine) compound (PFC). 4:2 FTS (4:2 Fluorotelomer sulfonic acid) | 4:2 fluorotelomer sulfonic acid | 757124-72-4 | A member of a class of chemicals called per- and polyfluoroalkyl substances or PFAS. Used in the production of non-stick, stain repellent and chemically inert coatings. 6:2 FTS (6:2 Fluorotelomer sulfonic acid) | 6:2 fluorotelomer sulfonic acid | 27619-97-2 | A member of a class of chemicals called per- and polyfluoroalkyl substances or PFAS. Used in the production of non-stick, stain repellent and chemically inert coatings. 8:2 FTS (8:2 Fluorotelomer sulfonic acid) | 8:2 fluorotelomer sulfonic acid | 39108-34-4 | A member of a class of chemicals called per- and polyfluoroalkyl substances or PFAS. Used in the production of non-stick, stain repellent and chemically inert coatings. Dibromoaldrin | dibromoaldrin | 20389-65-5 | A chlorinated paraffin (CP) used as a flame retardant and plasticizer, with molecular formula C12H8Br2Cl6. Dechlorane 601 | dechlorane 601 | 13560-90-2 | A polychlorinated compound used as a flame retardant and pesticide with molecular formula C20H12Cl12. Dechlorane 602 | dechlorane 602 | 31107-44-5 | A polychlorinated compound used as a flame retardant and pesticide with molecular formula C14H4Cl12O. Dechlorane 603 | dechlorane 603 | 13560-92-4 | A polychlorinated compound used as a flame retardant and pesticide with molecular formula C17H8Cl12. Dechlorane 604 | dechlorane 604 | 71245-27-7 | A polychlorinated compound used as a flame retardant and pesticide with molecular formula C13H4Br4Cl6. Dechlorane plus syn | syn-dechlorane plus | 135821-03-3 | A polychlorinated compound used as a flame retardant and pesticide with molecular formula C18H12Cl12. Dechlorane plus anti | anti-dechlorane plus | 135821-74-8 | A polychlorinated compound used as a flame retardant and pesticide with molecular formula C20H12Cl12. brPFOS (Perfluorooctanesulfonic acid branched) | perfluorooctanyl sulfonic acid (branched) | 1763-23-1 | A branched organofluorine with molecular formula C8HF17O3S.

danibodc commented 4 months ago

All but one of these terms have been loaded to S27 and will be live on the NVS from tomorrow morning.

Awaiting further information from originator r.e. TIPPP (Trisisopropyltrisphenyl phosphate), CAS number 68937-41-7.

danibodc commented 4 months ago

Requestor confirmed TIPPP has CAS number 64532-95-2 and refers to Tris(isopropylphenyl)phosphate (https://pubchem.ncbi.nlm.nih.gov/compound/Tris_isopropylphenyl_phosphate).

This has now been loaded and will be live on the NVS from tomorrow morning: CS004547 - tris(isopropylphenyl)phosphate