4-Amino-2,5-dimethylphenol
Basic information
- CAS
3096-71-7- Standard SMILES
Cc1cc(O)c(C)cc1N- InChIKey
JSWVCUXQICMATE-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 4-Amino-2,5-dimethylphenol
- IUPAC
- 4-amino-2,5-dimethylphenol
- English name
- 4-Amino-2,5-dimethylphenol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-Amino-2,5-dimethylphenol3096-71-7Phenol, 4-amino-2,5-dimethyl-2,5-dimethyl-4-hydroxyaniline2,5-Xylenol, 4-amino-2,5-Dimethyl-4-aminophenolEINECS 221-449-0UNII-RF4R93709TRF4R93709T(2,5-DIMETHYL-4-HYDROXYPHENYL)AMINEDTXSID30184948RefChem:97683
Show more names
4-Amino-2,5-xylenol >2,5-Dimethyl-4-aminophenol4-azanyl-2,5-dimethyl-phenol4-Hydroxy-2,5-dimethylaniline2,5-dimethyl-4-hydroxy aniline4-Amino-2,5-dimethylphenol,95%4-AMINO-2,5-DIMETHYLPHENOL, TECH.
DTXCID70107439221-449-0InChI=1/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2HJSWVCUXQICMATE-UHFFFAOYSA-N4-Amino-2,5-xylenol4-amino-2,5-dimethyl-phenolMFCD000078734-amino -2,5-dimethylphenol
Database identifiers
- CAS
3096-71-7- PubChem CID
- 76544
- DTXSID
DTXSID30184948- UNII
- RF4R93709T
- EC Number
- 221-449-0
- Nikkaji
- J217.270D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 242 · 242-243 °C (lit.)
- Boiling point
- 288.4 · 288.4±28.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Powder
- pka
- 1 · pK1: 5.28(+1);pK2: 10.40(0) (25°C)
- color
- White to beige
- Stability
- Stable. Incompatible with acids, chloroformates, acid anhydrides, acid chlorides, strong oxidizing agents.
- InChI
- 1S/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2H3
- InChIKey
- JSWVCUXQICMATE-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)c(C)cc1N
- CAS DataBase Reference
- 3096 · 3096-71-7(CAS DataBase Reference)
- FDA UNII
- 4 R93709T · RF4R93709T
- Comptox DTXSID
- 30184948 · DTXSID30184948
- UNSPSC Code
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+H312+H332 (42.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (98.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2922299090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39-24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses4-Amino-2,5-dimethylphenol may be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Related reactions
90 records
Compound notes
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