Basic information
- CAS
1999-85-5- Standard SMILES
CC(C)(O)c1cccc(C(C)(C)O)c1- InChIKey
UGPWRRVOLLMHSC-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067982
Names & identifiers
- Preferred name
- alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
- IUPAC
- 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
- English name
- alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
1999-85-5alpha,alpha'-Dihydroxy-1,3-diisopropylbenzeneG9PAL4YV6C1,3-bis(2-hydroxy-2-propyl)benzene1,3-bis(1-hydroxy-1-methylethyl)benzene1,3-Benzenedimethanol, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl-EINECS 217-886-1.alpha.,.alpha.'-Dihydroxy-m-diisopropylbenzene1,3-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetramethyl-DTXSID80883535EC 217-886-11,3-BIS(2-PROPANOL)BENZENE
Show more names
Meta-diol2,2'-(1,3-phenylene)bis(propan-2-ol)2,2'-(M-PHENYLENE)DI-2-PROPANOLα,α,α',α'-tetramethyl-1,3-benzene2,2'-(m-Phenylene)bis(2-propanol)'-Dihydroxy-1,3-diisopropylbenzenea,a'-Dihydroxy-1,3-diisopropylbenzeneα,α'-Dihydroxy-1,3-diisopropylbenzene1,3-BIS(ALPHA-HYDROXYISOPROPYL)BENZENE
1,3-di(2-hydroxy-2-propyl)benzeneM-BIS(2-HYDROXYISOPROPYL)BENZENE1,3-DI(2-HYDROXYISOPROPYL)BENZENE1,3-Benzenedimethanol, alpha1,alpha1,alpha3,alpha3-tetramethyl-1,3-BIS(2-HYDROXYISOPROPYL)BENZENEM-BIS(.ALPHA.-HYDROXYISOPROPYL)BENZENE1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetramethyl-.ALPHA.,.ALPHA.'-DIHYDROXY-1,3-DIISOPROPYLBENZENE
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 176
Physicochemical properties
- Melting point
- 137 · 137-140 °C(lit.)
- Boiling point
- 295.6 · 295.6±20.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.19 · 14.19±0.29(Predicted)
- color
- White to Almost white
- Water Solubility
- 2.66 g/L · 2.66g/L at 20℃
- LogP
- 1.6 at · 1.6 at 20℃
- FDA UNII
- 9 PAL4YV6C · G9PAL4YV6C
- EPA Substance Registry System
- 1 · 1,3-Benzenedimethanol, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl- (1999-85-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.
Warning
H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: α,α,α',α'-tetramethyl-m-xylene-α,α'-diol (EC: 217-886-1)
Hazard Classes and CategoriesAcute Tox. 4 (95.3%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2906290090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Hazard statements
- H302-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetramethyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TCI AMERICA
Related reactions
4 records
Compound notes
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