Basic information
- CAS
54030-32-9- Standard SMILES
O=Cc1ccc(O)c(CO)c1- InChIKey
SCXZNYRQOPBUTM-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734411
Names & identifiers
- Preferred name
- 4-Hydroxy-3-(hydroxymethyl)benzaldehyde
- IUPAC
- 4-hydroxy-3-(hydroxymethyl)benzaldehyde
- English name
- 4-Hydroxy-3-(hydroxymethyl)benzaldehyde
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
4-Hydroxy-3-(hydroxymethyl)benzaldehyde54030-32-9BENZALDEHYDE, 4-HYDROXY-3-(HYDROXYMETHYL)-BRN 2251439UNII-VS48HCI63JVS48HCI63JDTXSID102023713-(hydroxymethyl)-4-hydroxybenzaldehydeRefChem:99185DTXCID10124862862-829-1Salbutamol Impurity Q
Show more names
5-Formyl salicyl alcoholAlbuterol sulfate impurity RSalbutamol Related Compound 3Salbutamol sulfate EP impurity Q4-Hydroxy-3-(hydroxymethyl)benzaldehyde, tech.Salbutamol Impurity 18（Salbutamol EP Impurity Q）
MFCD00114698Salbutamol EP Impurity Q4-Hydroxy-3-hydroxymethylbenzaldehydeSalbutamol EP Impurity 14Oprea1_353947SCHEMBL4371754SCHEMBL30225085SCXZNYRQOPBUTM-UHFFFAOYSA-N
Database identifiers
- CAS
54030-32-9- PubChem CID
- 40975
- DTXSID
DTXSID10202371- UNII
- VS48HCI63J
- EC Number
- 862-829-1
- Nikkaji
- J588.625B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 142 · 142-145 °C
- Boiling point
- 342.6 · 342.6±32.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.74 · 7.74±0.18(Predicted)
- Major Application
- pharmaceutical small molecule
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 48 HCI63J · VS48HCI63J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · 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
Warning
H302 (100%): 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 2 reports by companies from 1 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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Hydroxy-3-(hydroxymethyl)benzaldehyde is an impurity of Albuterol (A514501) which is a β2-adrenoceptor agonist, a bronchodilator and a tocolytic. 4-Hydroxy-3-(hydroxymethyl)benzaldehyde is also used in the preparation of Cinnamyl alcohol-like compounds which can be used for treatment of free radical generated related diseases inlcuding auto-immunodeficiency diseases. It is also used as a reagent in the synthesis of 5-Diacetoxymethyl-cycloSal-d4TMP which is a prototype of enzymatically activated cycloSal-pronucleotides that may possess antiviral activities against HIV.
Suppliers77 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
2 records
Compound notes
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