Basic information
- CAS
2528-39-4- Standard SMILES
CCCCCCOP(=O)(OCCCCCC)OCCCCCC- InChIKey
SFENPMLASUEABX-UHFFFAOYSA-N- Molecular formula
- C18H39O4P
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.25859672
Names & identifiers
- Preferred name
- Phosphoric acid, trihexyl ester
- IUPAC
- trihexyl phosphate
- English name
- TRIHEXYL PHOSPHATE
- Molecular formula
- C18H39O4P
- Molecular weight
- 350.47
Names & synonyms
Trihexyl phosphatePhosphoric acid, trihexyl esterEINECS 219-774-8DTXSID1074597RefChem:173837DTXCID8037259219-774-8SFENPMLASUEABX-UHFFFAOYSA-N2528-39-4TRIHEXYLPHOSPHATEtri-n-hexyl phosphateMFCD00015351
Show more names
Flame Retardant THPTRI-N-HEXYLPHOSPHONATETrihexyl Phosphate (>Trihexyl Phosphate (>90%)4-Ethyl-4'-ethynylbiphenylTri-n-hexyl phosphate, 90+%Trihexyl phosphate, 90% minphosphoric acid trihexyl ester
Trihexyl Phosphate (>90%)SCHEMBL235364HN844S3C6XAKOS005110998CS-0333457C18H39O4PHexyl Phosphate; Tri(n-hexyl) Phosphate;Tri-N-hexyl PhosphateTRIHEX
Database identifiers
- CAS
2528-39-4- PubChem CID
- 75666
- DTXSID
DTXSID1074597- UNII
- HN844S3C6X
- EC Number
- 219-774-8
- Nikkaji
- J192.015D
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
Physical DescriptionLiquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 192 · 192-193 °C(Press: 6.5 Torr)
- Density
- 0.9215 g/cm3 · 0.9215 g/cm3(Temp: 020 °C)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Colorless
- Water Solubility
- 250 μg/L · 250μg/L at 20℃
- InChI
- InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
- InChIKey
- SFENPMLASUEABX-UHFFFAOYSA-N
- SMILES
- P(OCCCCCC)(OCCCCCC)(OCCCCCC)=O
- LogP
- 7.04 at · 7.04 at 25℃
- FDA UNII
- 844 S3C6X · HN844S3C6X
- EPA Substance Registry System
- Phosphoric acid, trihexyl ester (2528-39-4)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- REACH Registrations
- Active
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 14.3% (1 of 7) of reports.
Warning
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Phosphoric acid, trihexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, trihexyl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Trihexyl phosphate (EC: 219-774-8)
Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAquatic Acute 1 (28.6%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing InformationPhosphoric acid, trihexyl ester: ACTIVE
Applications
UsesTrihexyl Phosphate is used as a modifier in the flame-retardant, polyphenylene oxide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
张家港雅瑞化工有限公司0512-58961066 18921980669 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海思域化工科技有限公司021-34053660 · [email protected]
张家港市创力新材料有限公司0512-58361933 · [email protected]
成都康巴斯生物科技有限公司18582381569 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
张家港新亚化工有限公司0512-58980899 13915696858 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
江苏润丰合成科技有限公司0513-66017678 18551497631 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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