Basic information
- CAS
28026-96-2- Standard SMILES
Cc1c(O)cc(C(=O)O)cc1O- InChIKey
KMRRXSZDSGYLCD-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225874
Names & identifiers
- Preferred name
- 3,5-Dihydroxy-4-methylbenzoic Acid
- IUPAC
- 3,5-dihydroxy-4-methylbenzoic acid
- English name
- 3,5-Dihydroxy-4-methylbenzoic acid
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
3,5-Dihydroxy-4-methylbenzoic acid28026-96-2DTXSID90372708RefChem:486868DTXCID40323740608-159-3MFCD000025143,5-Dihydroxy-4-methylbenzoicacid3,5-DIHYDROXY-P-TOLUIC ACIDBenzoic acid, 3,5-dihydroxy-4-methyl-4-METHYL-3,5-DIHYDROXY BENZOIC ACID3,5-dihydroxy-4-methyl-benzoic Acid
Show more names
Dihydroxy methylbenzoic acid3,5-dihydroxy-4-methylbenzoateDIHYDROXY-4-METHYLBENZOIC ACID,3,5-3,5-Dihydroxy-p-toluic acid (COOH=1)DIHYDROXY-4-METHYLBENZOIC ACID,3,5-(RG)3,5-Dihydroxy-4-Methyl Benzoic Acid 4-Methyl-3,5-Dihydroxy Benzoic Acid
SCHEMBL19197484-Methyl-3,5-dihydroxybenzoic acid3,5-Dihydroxy-4-methylborb1684869KMRRXSZDSGYLCD-UHFFFAOYSA-N3,5-dihydroxy4-methylbenzoic acidSBB063984TN1239
Database identifiers
- CAS
28026-96-2- PubChem CID
- 2748045
- DTXSID
DTXSID90372708- EC Number
- 608-159-3
- Nikkaji
- J267.240E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 267 · 267-268 C
- Boiling point
- 422.2 · 422.2±15.0 °C(Predicted)
- Density
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.13 · 4.13±0.10(Predicted)
- color
- White to Light yellow
- LogP
- 1.58 · 1.580 (est)
- CAS DataBase Reference
- 28026 · 28026-96-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- C,Xi,Xn
- Risk Statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi,Xn
- safety_code
- 26-36/37/39-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
怀化宝华生物科技有限公司0519-82698292 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Related reactions
10 records
Compound notes
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