Basic information
- CAS
2438-04-2- Standard SMILES
CC(C)c1ccccc1C(=O)O- InChIKey
BANZVKGLDQDFDV-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-Isopropylbenzoic acid
- IUPAC
- 2-propan-2-ylbenzoic acid
- English name
- 2-propan-2-ylbenzoic acid
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-Isopropylbenzoic acidRefChem:473922676-274-62438-04-22-propan-2-ylbenzoic acidMFCD000458362-(propan-2-yl)benzoic acidBenzoic acid, 2-(1-methylethyl)-isopropylbenzoic acidO-ISOPROPYLBENZOIC ACID2-Isopropylbenzoic acid #SCHEMBL254364
Show more names
o-Cumic acido-Cuminic acid2-(1-Methylethyl)benzoic acid
DTXSID40901047FS-2206SY019147CS-0154276EN300-1366922-Isopropyl-benzoic acidBenzoic acid, (1-methylethyl)-2-Isopropylbenzoicacid
Database identifiers
- CAS
2438-04-2- PubChem CID
- 17099
- DTXSID
DTXSID40901047- EC Number
- 676-274-6
- Nikkaji
- J40.307E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 62 · 62-64 C
- Boiling point
- 270 ℃ · 270℃
- Density
- 1.08 · 1.080
- refractive index
- 1.5198 · 1.5198 (estimate)
- Flash point
- 127 ℃ · 127℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 3 · 3+-.0.10(Predicted)
- color
- White to Almost white
- 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
H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (20%)
Safety data
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers59 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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