Pentyl 4-hydroxybenzoate

HCID 23019CAS 6521-29-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCOC(=O)c1ccc(O)cc1
InChIKey
ZNSSPLQZSUWFJT-UHFFFAOYSA-N
Molecular formula
C12H16O3
Average molar mass
208.25 g/mol
Monoisotopic mass
208.10994437

Names & identifiers

Preferred name
Pentyl 4-hydroxybenzoate
IUPAC
pentyl 4-hydroxybenzoate
English name
4-Hydroxybenzoic acid n-amyl ester
Molecular formula
C12H16O3
Molecular weight
208.25

Names & synonyms

Pentyl 4-hydroxybenzoate6521-29-5Amyl 4-hydroxybenzoatePentyl ParabenPentylparabenPentyl p-hydroxybenzoatep-Hydroxybenzoic acid pentyl esterp-OxybenzoesaurepentylesterAmyl p-HydroxybenzoateUNII-SJV2E4C7DMDTXSID9047887NSC 309817
Show more names
AmylparabenN-AMYLPARABENamyl4-hydroxybenzoateAMYL-P-HYDROXYBENZOATEN-AMYL 4-HYDROXYBENZOATEAmyl4-Hydroxybenzoate>
EINECS 229-408-9p-Oxybenzoesaurepentylester [German]SJV2E4C7DM4-Hydroxybenzoic Acid n-Amyl EsterBRN 2722438NSC-309817DTXCID90278634-10-00-00377 (Beilstein Handbook Reference)

Database identifiers

CAS
6521-29-5
PubChem CID
23019
DTXSID
DTXSID9047887
ChEMBL
CHEMBL3183634
UNII
SJV2E4C7DM
EC Number
229-408-9
Nikkaji
J87.220B

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15

Experimental & physicochemical properties

LogP3.65
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
37 · 37-38°C
Boiling point
197 · 197-200°C 10mm
Density
1.085 · 1.085±0.06 g/cm3(Predicted)
Flash point
197 · 197-200°C/10mm
storage temp.
2 · Sealed in dry,2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

Safety data

rtecs
DH2555000
hs_code
29182900
risk_code
36/38-43
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25-26-36/37/39

Chemistry & industry

Applications

UsesAn antimicrobial agent used in cosmetic products.

Upstream & downstream products

Suppliers50 total

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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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