Basic information
- CAS
18979-50-5- Standard SMILES
CCCOc1ccc(O)cc1- InChIKey
KIIIPQXXLVCCQP-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 4-Propoxyphenol
- IUPAC
- 4-propoxyphenol
- English name
- 4-Propoxyphenol
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
4-PROPOXYPHENOL18979-50-5Phenol, 4-propoxy-p-PropoxyphenolPhenol, p-propoxy-p-Propoxy phenol4-propoxy phenolZJ9EF57C3BNSC 82358NSC-82358DTXSID6066442RefChem:526566
Show more names
4-propoxy-Proproxyphenol4-propoxy-phenoPARA-PROPOXYPHENOL
Phenol, p-propoxy-(8CI)DTXCID2035988679-814-9InChI=1/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H4-n-Propoxyphenol4-PropyloxyphenolHydroquinone monopropyl etherMFCD00002335
Database identifiers
- CAS
18979-50-5- PubChem CID
- 29352
- DTXSID
DTXSID6066442- ChEMBL
CHEMBL225183- UNII
- ZJ9EF57C3B
- EC Number
- 679-814-9
- Nikkaji
- J27.314G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.7
Experimental & physicochemical properties
LogP2.31
Physicochemical properties
- Melting point
- 54 · 54-56 °C(lit.)
- Boiling point
- 234.66 °C · 234.66°C (rough estimate)
- Density
- 1.0505 · 1.0505 (rough estimate)
- refractive index
- 1.491 · 1.4910 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.34 · 10.34±0.15(Predicted)
- color
- Light Brown
- CAS DataBase Reference
- 18979 · 18979-50-5(CAS DataBase Reference)
- FDA UNII
- 9 EF57C3B · ZJ9EF57C3B
- NIST Chemistry Reference
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 (16.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPhenol, 4-propoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29071990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 22-24/25-37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Propoxyphenol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(4-propoxyphenoxy)oxane-2-carboxylic acid.
Uses & manufacturing
General Manufacturing InformationPhenol, 4-propoxy-: INACTIVE
Applications
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers81 total
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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
Related reactions
1 records
Compound notes
Loading…