4-Valerylphenol

HCID 75766
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Basic information

CAS
2589-71-1
Standard SMILES
CCCCC(=O)c1ccc(O)cc1
InChIKey
ZKCJJGOOPOIZTE-UHFFFAOYSA-N
Molecular formula
C11H14O2
Average molar mass
178.23 g/mol
Monoisotopic mass
178.09937969

Names & identifiers

Preferred name
4-Valerylphenol
IUPAC
1-(4-hydroxyphenyl)pentan-1-one
English name
4'-Hydroxyvalerophenone
Molecular formula
C11H14O2
Molecular weight
178.23

Names & synonyms

4'-Hydroxyvalerophenone2589-71-11-Pentanone, 1-(4-hydroxyphenyl)-4-Valerylphenolp-Hydroxyvalerophenone1-(4-Hydroxyphenyl)-1-pentanoneRFV916NJJ6DTXSID6062541NSC-49186NSC-49321RefChem:527089DTXCID4037409
Show more names
4-HYDROXYVALEROPHENONE4-VALERYL-PHENOL4-PENTANOYLPHENOL4'- hydroxyketone4-Hydroxyvaleropheno4'-hydroxy-pentanoneHydroxyvalerophenonep-Hydroxypentanophenone
219-978-7p-Valerylphenol1-(4-hydroxyphenyl)pentan-1-oneValerophenone, 4'-hydroxy-4'-HydroxypentanophenoneMFCD00009719ChemDiv3_014404SCHEMBL420677

Database identifiers

CAS
2589-71-1
PubChem CID
75766
DTXSID
DTXSID6062541
ChEMBL
CHEMBL441370
UNII
RFV916NJJ6
EC Number
219-978-7
Nikkaji
J192.100B

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
62 · 62-65 °C
Boiling point
182 · 182-183 °C/3 mmHg(lit.)
Density
1.0292 · 1.0292 (rough estimate)
refractive index
1.539 · 1.5390 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

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

wgk
3
tsca
TSCA listed
hs_code
29182900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Pentanone, 1-(4-hydroxyphenyl)-: ACTIVE

Applications

Uses4'-Hydroxyvalerophenone is an organic intermediate and pharmaceutical intermediate for the preparation of acylphenoxyacetic acid compounds.

Preparation methods

Preparation4'-Hydroxyvalerophenone is synthesized from phenol and valeryl chloride. It is a raw material intermediate for liquid crystals.

Upstream & downstream products

Downstream products

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107

Related reactions

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Compound notes

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