Basic information
- CAS
114-63-6- Standard SMILES
O=C([O-])c1ccc(O)cc1.[Na+]- InChIKey
ZLVSYODPTJZFMK-UHFFFAOYSA-M- Molecular formula
- C7H5NaO3
- Average molar mass
- 160.1 g/mol
- Monoisotopic mass
- 160.0136383
Names & identifiers
- Preferred name
- Sodium 4-hydroxybenzoate
- IUPAC
- sodium 4-hydroxybenzoate
- English name
- Sodium 4-hydroxybenzoate
- Molecular formula
- C7H6O3.Na
- Molecular weight
- 161.11
Names & synonyms
Sodium 4-hydroxybenzoateSodium p-hydroxybenzoate4-Hydroxybenzoic acid sodium saltsodium parabenBenzoic acid, 4-hydroxy-, monosodium saltp-Hydroxybenzoic acid sodium saltMonosodium p-hydroxybenzoateMonosodium 4-hydroxybenzoateBenzoic acid, 4-hydroxy-, sodium salt (1:1)EINECS 204-051-1p-hydroxybenzoic acid monosodium saltV6102T509B
Show more names
p-HydroxybeSODIUM HYDROXYBENZOATEHydroxybenzoicsodiumsaltSodium4-Hydroxybenzoate>4-Hydroxybenzoate (sodium)PHBSodiuM 4-hydroxybenzoatemonosodium4-hydroxybenzoate
DTXSID3059426BENZOIC ACID, p-HYDROXY-, SODIUM SALTCHEBI:113449SODIUM 4-HYDROXYBENZOIC ACIDBENZOIC ACID, P-HYDROXY-, MONOSODIUM SALTRefChem:887100SODIUM PARABEN [INCI]DTXCID5033337
Database identifiers
- CAS
114-63-6- PubChem CID
- 16219477
- DTXSID
DTXSID3059426- ChEMBL
CHEMBL1762656- ChEBI
CHEBI:113449- UNII
- V6102T509B
- EC Number
- 204-051-1
Properties
Computed structural properties
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Density
- 0.100345 g/cm³ · 0.100345 g/cm³(Temp: 30 °C)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder
- color
- White to light beige
- Water Solubility
- Soluble in water.
- BRN
- 4163553 · 4163553
- Major Application
- food and beverages
- Cosmetics Ingredients Functions
- PRESERVATIVE
- InChI
- InChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
- InChIKey
- ZLVSYODPTJZFMK-UHFFFAOYSA-M
- SMILES
- C1(C=CC(O)=CC=1)C([O-])=O.[Na+]
- CAS DataBase Reference
- 114 · 114-63-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6102 T509B · V6102T509B
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
This chemical does not meet GHS hazard criteria for 3.5% (3 of 86) of reports.
Warning
H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 86 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 86 reports by companies.；There are 5 notifications provided by 83 of 86 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationBenzoic acid, 4-hydroxy-, monosodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (96.5%)；Eye Irrit. 2 (96.5%)；STOT SE 3 (95.3%)
Toxicology
Toxicity Summary
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Sodium Paraben
Use ClassificationCosmetics -> Preservative
General Manufacturing InformationBenzoic acid, 4-hydroxy-, sodium salt (1:1): ACTIVE
Applications
UsesIt is used as a pharmaceutical intermediate.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Related reactions
4 records
Compound notes
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