Basic information
- CAS
2349-71-5- Standard SMILES
CC(C)c1cc(O)ccc1O- InChIKey
HIGSPBFIOSHWQG-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Overview
2-Isopropyl-1,4-benzenediol is an alkylbenzene.
Names & identifiers
- Preferred name
- 2-Isopropylhydroquinone
- IUPAC
- 2-propan-2-ylbenzene-1,4-diol
- English name
- 2-isopropylhydroquinone
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
2-Isopropylhydroquinone213K8IP95JEINECS 219-080-5NSC-168521DTXSID60178057NSC 168521RefChem:473925DTXCID90100548219-080-52-isopropylbenzene-1,4-diol2349-71-52-propan-2-ylbenzene-1,4-diol
Show more names
Propofol Impurity 212-(1-Methylethyl)benzene-1,4-diol1,4-Benzenediol,2-(1-methylethyl)-
2-isopropyl-1,4-benzenediol1,4-Benzenediol, 2-(1-methylethyl)-2-(propan-2-yl)benzene-1,4-diolMFCD00094362isopropylhydroquinoneUNII-213K8IP95J2-IsopropylquinolNSC168521
Database identifiers
- CAS
2349-71-5- PubChem CID
- 75370
- DTXSID
DTXSID60178057- ChEMBL
CHEMBL1795407- ChEBI
CHEBI:172413- UNII
- 213K8IP95J
- EC Number
- 219-080-5
- Nikkaji
- J213.204D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
Melting Point129 - 131 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 294.5 · 294.5±20.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.75 · 10.75±0.18(Predicted)
- FDA UNII
- 213 K8IP95J · 213K8IP95J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers15 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
安徽合诺生物科技有限公司0555-2761852
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
安徽合诺生物科技有限公司18455579438
上海相辉医药科技有限公司13761987713 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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