Basic information
- CAS
18979-53-8- Standard SMILES
CCCCCOc1ccc(O)cc1- InChIKey
JCLFHZLOKITRCE-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- p-Pentyloxyphenol
- IUPAC
- 4-pentoxyphenol
- English name
- 4-Pentyloxyphenol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
4-(PENTYLOXY)PHENOL18979-53-84-Pentyloxyphenol4-pentoxyphenolPhenol, 4-(pentyloxy)-p-pentyloxyphenolp-(Pentyloxy)phenolp-n-PentyloxyphenolPhenol, p-(pentyloxy)-UHM852UB1IP-PENTOXYPHENOLEINECS 242-712-6
Show more names
Amyloxyphenolp-AmoxyphenolPENTYLOXYPHENOLp-n-Amyloxyphenol4-(AMYLOXY)PHENOL
P-(N-PENTYLOXY)PHENOLDTXSID1066443RefChem:858160DTXCID70359894-AmyloxyphenolAmolMFCD000442834-N-Amyloxyphenol
Database identifiers
- CAS
18979-53-8- PubChem CID
- 29353
- DTXSID
DTXSID1066443- UNII
- UHM852UB1I
- EC Number
- 242-712-6
- Nikkaji
- J10.973H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
LogP3.26
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 46 · 46-49 °C
- Boiling point
- 273.08 °C · 273.08°C (rough estimate)
- Density
- 1.0044 · 1.0044 (rough estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- 0 · 0-10°C
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 10.32 · 10.32±0.15(Predicted)
- color
- White to Light yellow to Light red
- FDA UNII
- 852 UB1I · UHM852UB1I
- NIST Chemistry Reference
- 4 · Phenol, 4-(pentyloxy)-(18979-53-8)
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2909500090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(pentyloxy)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers82 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [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]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
4 records
Compound notes
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