Basic information
- CAS
1518-83-8- Standard SMILES
Oc1ccc(C2CCCC2)cc1- InChIKey
SNBKPVVDUBFDEJ-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Overview
4-cyclopentylphenol is a member of phenols.
Names & identifiers
- Preferred name
- 4-Cyclopentylphenol
- IUPAC
- 4-cyclopentylphenol
- English name
- 4-CYCLOPENTYLPHENOL
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
4-CYCLOPENTYLPHENOLRefChem:522356620-780-11518-83-8Phenol, 4-cyclopentyl-MFCD000099534-cyclopentyl-phenolNSC407856NSC 407856Phenol, p-cyclopentyl-AI3-22766SCHEMBL56284
Show more names
4-(Cyclopentane-1-yl)phenol4-CYCLOPENTYLPHENOL, TECH., 95%4-Cyclopentylphenol technical grade, 95%
SCHEMBL2097659SCHEMBL6831259DTXSID60164874CHEBI:167800AKOS015916279NSC-407856AS-572374-Cyclopentylphenol, technical grade, 95%
Database identifiers
- CAS
1518-83-8- PubChem CID
- 15202
- DTXSID
DTXSID60164874- ChEBI
CHEBI:167800- EC Number
- 620-780-1
- Nikkaji
- J309.002G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 64 · 64-66 °C (lit.)
- Boiling point
- 155 °C/12 · 155 °C/12 mmHg (lit.)
- Density
- 0.9411 · 0.9411 (rough estimate)
- refractive index
- 1.527 · 1.5270 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.24 · 10.24±0.13(Predicted)
- form
- solid
- color
- Beige
- InChI
- 1S/C11H14O/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,12H,1-4H2
- InChIKey
- SNBKPVVDUBFDEJ-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C2CCCC2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
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 39 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2907199090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Cyclopentylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-cyclopentylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Applications
UsesResolution of 2-, 3- and 4-cyclopentylphenol (positional isomers of cyclopentylphenol) by thin-layer chromatography has been reported.
General DescriptionResolution of 2-, 3- and 4-cyclopentylphenol (positional isomers of cyclopentylphenol) by thin-layer chromatography has been reported.
Upstream & downstream products
Downstream products
Suppliers23 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
Related reactions
19 records
Compound notes
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