4-(4-Hydroxyphenyl)butanoic acid

HCID 279983
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Basic information

CAS
7021-11-6
Standard SMILES
O=C(O)CCCc1ccc(O)cc1
InChIKey
WTDBNDAYNLGKGW-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Names & identifiers

Preferred name
4-(4-Hydroxyphenyl)butanoic acid
IUPAC
4-(4-hydroxyphenyl)butanoic acid
English name
4-(4-HYDROXYPHENYL)BUTANOIC ACID
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

4-(4-HYDROXYPHENYL)BUTANOIC ACIDDTXSID20299550RefChem:514280DTXCID20250686615-082-97021-11-6benzenebutanoic acid, 4-hydroxy-4-(4-HYDROXYPHENYL)BUTYRIC ACID4-carboxypropylphenolMFCD000332874-Hydroxy-benzenebutanoic acid4-(4-Hydroxy-phenyl)-butyric acid
Show more names
P-HYDOROXYPHENYLBUTANOIC ACID
4-Hydroxybenzenebutanoic acid4-(4-Hydroxyphenyl)butanoicacidNSC131303SCHEMBL2846714-hydroxyphenethyl acetic acid4-(4-HYDROXYPHENYL)Borb31762864-(Hydroxy)benzenebutanoic acid

Database identifiers

CAS
7021-11-6
PubChem CID
279983
DTXSID
DTXSID20299550
ChEMBL
CHEMBL4097450
EC Number
615-082-9
Nikkaji
J579.377G

Properties

Computed structural properties

XLogP
2
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
110 · 110-111 °C
Boiling point
128 · 128-200 °C(Press: 0.4 Torr)
Density
1.214 · 1.214±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
Chloroform (Slightly), DMSO (slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2918290090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319-H302
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses4-Carboxypropylphenol is a bacterial chlorophyll derivative.

Upstream & downstream products

Upstream raw materials

Suppliers63 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

29 records
New reaction record

Compound notes

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