Basic information
- Standard SMILES
CC(C)(O)c1ccc(C(C)(C)O)cc1- InChIKey
LEARFTRDZQQTDN-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067982
Names & identifiers
- Preferred name
- p-Bis(2-hydroxyisopropyl)benzene
- IUPAC
- 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
- English name
- 1,4-BIS(1-METHYL-1-HYDROXYETHYL)BENZENE
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
2948-46-11,4-Bis(2-hydroxy-2-propyl)benzenealpha,alpha,alpha',alpha'-Tetramethyl-1,4-benzenedimethanolP-BIS(2-HYDROXYISOPROPYL)BENZENEG785DRB5XHDTXSID7029247HSDB 5907p-Bis(alpha-hydroxyisopropyl)benzeneEINECS 220-964-8alpha,alpha'-Dihydroxy-p-diisopropylbenzenealpha,alpha,alpha',alpha'-Tetramethyl-p-xylylenediolalpha,alpha,alpha',alpha'-Tetramethyl-p-benzenedimethanol
Show more names
Dicumyl alcoholTIMTEC-BB SBB0078061,4-Bis(2-propanol)benzene2,2'-(P-PHENYLENE)DI-2-PROPANOL1,4-bis(hydroxyisopropyl)benzene1,4-Di(2-hydroxy-2-propyl)benzene'-Dihydroxy-1,4-diisopropylbenzene1,4-Bis(2-hydroxyisopropyl)benzene
DTXCID3092471,4-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetramethyl-p-Xylene-alpha,alpha'-diol, alpha,alpha,alpha',alpha'-tetramethyl-1,4-Benzenedimethanol, alpha1,alpha1,alpha4,alpha4-tetramethyl-P-BIS(2-HYDROXYISOPROPYL)BENZENE [HSDB]RefChem:8579981,4Bis(2hydroxy2propyl)benzenepBis(alphahydroxyisopropyl)benzene
Database identifiers
- CAS
2948-46-1- PubChem CID
- 18062
- DTXSID
DTXSID7029247- ChEMBL
CHEMBL3187761- UNII
- G785DRB5XH
- EC Number
- 220-964-8
- Nikkaji
- J28.515C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
Physical DescriptionSolid; [MSDSonline]
Physicochemical properties
- Melting point
- 144 · 144-146 °C (lit.)
- Boiling point
- 167 · 167-168 °C/12 mmHg (lit.)
- Density
- 1.001 · 1.0010 (rough estimate)
- refractive index
- 1.505 · 1.5050 (estimate)
- Flash point
- 167 · 167-168°C/12mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 14.25 · 14.25±0.29(Predicted)
- color
- White to Light yellow
- Water Solubility
- Slightly Soluble in water (2.1 g/L) (25°C).
- InChI
- InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
- InChIKey
- LEARFTRDZQQTDN-UHFFFAOYSA-N
- SMILES
- C(O)(C)(C)C1C=CC(C(O)(C)C)=CC=1
- CAS DataBase Reference
- 2948 · 2948-46-1(CAS DataBase Reference)
- FDA UNII
- 785 DRB5XH · G785DRB5XH
- EPA Substance Registry System
- 1 · 1,4-Bis(2-hydroxy-2-propyl)benzene (2948-46-1)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2906290090 · 2906290090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Hazardous Substances Data
- 2948 · 2948-46-1(Hazardous Substances Data)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2906290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 2948-46-1(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.4,.alpha.4-tetramethyl-: ACTIVE
Applications
Uses1,4-Bis(2-hydroxyisopropyl)benzene is used as a pharmaceutical intermediate.
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009
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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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重庆科脉材料科技有限公司17830741407 · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
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泰迩生物医药泰州有限公司052386810091 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
Related reactions
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