2-Butyl p-hydroxybenzoate

HCID 86607
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Substructure searchFind similar structures

Basic information

CAS
17696-61-6
Standard SMILES
CCC(C)OC(=O)c1ccc(O)cc1
InChIKey
ZUOTXZHOGPQFIU-UHFFFAOYSA-N
Molecular formula
C11H14O3
Average molar mass
194.23 g/mol
Monoisotopic mass
194.09429431

Names & identifiers

Preferred name
2-Butyl p-hydroxybenzoate
IUPAC
butan-2-yl 4-hydroxybenzoate
English name
4-Hydroxybenzoic acid sec-butyl ester
Molecular formula
C11H14O3
Molecular weight
194.23

Names & synonyms

sec-Butyl 4-hydroxybenzoate17696-61-6Benzoic acid, 4-hydroxy-, 1-methylpropyl ester2-Butyl p-hydroxybenzoateSEC-BUTYL P-HYDROXYBENZOATESEC-BUTYL PARABENEINECS 241-697-316V369U91OBENZOIC ACID, P-HYDROXY-, SEC-BUTYL ESTERRefChem:468095241-697-3butan-2-yl 4-hydroxybenzoate
Show more names
Hydroxybenzoicacidbutylestersec-Butyl4-Hydroxybenzoate>sec-Butyl 4-Hydroxybenzoatep-Hydroxybenzoic acid sec-butyl ester
sec-Butylparaben4-Hydroxybenzoic Acid sec-Butyl EsterMFCD00059626DTXSID5044607DTXCID3024607CAS-17696-61-6sec-Butyl4-Hydroxybenzoate4-hydroxybenzoic acid 1-methylpropyl ester

Database identifiers

CAS
17696-61-6
PubChem CID
86607
DTXSID
DTXSID5044607
ChEMBL
CHEMBL3182182
UNII
16V369U91O
EC Number
241-697-3
Nikkaji
J150.376F

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section148.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5044607]

Physicochemical properties

Melting point
60 °C · 60°C
Boiling point
210 °C · 210 °C / 25mmHg
Density
1.105 · 1.105
Flash point
125 ℃ · 125℃
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Ethyl Acetate (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

hs_code
2918290090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H319-H315
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesButan-2-yl 4-Hydroxybenzoate can be used as an oral spray to treat oral diseases.

Upstream & downstream products

Upstream raw materials

Suppliers33 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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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CAS 17696-61-6 2-Butyl p-hydroxybenzoate (HCID 86607)｜Huagongshe