Basic information
- CAS
38713-56-3- Standard SMILES
CCCCCCCCCOC(=O)c1ccc(O)cc1- InChIKey
MBNSKHJDYXPONL-UHFFFAOYSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Overview
Nonylparaben has been reported in Salvia moorcroftiana with data available.
Names & identifiers
- Preferred name
- Nonyl 4-Hydroxybenzoate
- IUPAC
- nonyl 4-hydroxybenzoate
- English name
- 4-Hydroxybenzoic acid n-nonyl ester
- Molecular formula
- C16H24O3
- Molecular weight
- 264.36
Names & synonyms
Nonyl 4-hydroxybenzoateRefChem:854641679-685-938713-56-3NonylparabenNonyl p-hydroxybenzoate4-HYDROXYBENZOIC ACID N-NONYL ESTERMFCD00016483DTXSID9047885Benzoic acid, 4-hydroxy-, nonyl esterNonyl4-Hydroxybenzoate4-Hydroxybenzoic Acid Nonyl Ester
Show more names
N-NONYLPARABENN-NONYL 4-HYDROXYBENZOATENonyl4-Hydroxybenzoate>n-Nonyl 4-Hydroxybenzoate D4
p-Hydroxybenzoic acid nonyl ester4-Hydroxy nonylbenzoateCX6DDD2SNZNonyl 4-hydroxybenzoate #SCHEMBL187991CHEMBL2271362DTXCID9027861p-Hydroxybenzoic acid n-nonyl ester
Database identifiers
- CAS
38713-56-3- PubChem CID
- 586708
- DTXSID
DTXSID9047885- ChEMBL
CHEMBL2271362- UNII
- CX6DDD2SNZ
- EC Number
- 679-685-9
- Nikkaji
- J151.231E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
PesticidesBiocide
Physicochemical properties
- Melting point
- 44 °C · 44°C
- Boiling point
- 367.59 °C · 367.59°C (rough estimate)
- Density
- 1.0468 · 1.0468 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White
- Water Solubility
- 1.275 g/L · 1.275g/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319
- Precautionary statements
- 261 · P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H317-H319
- Precautionary statements
- P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
UsesNonyl 4-Hydroxybenzoate-d4 is labelled Nonyl 4-Hydroxybenzoate which was used to prepare 4-[(aminosulfonyl)oxy] benzoic acid derivatives as potent inhibitors of the enzyme estrone sulfatase (ES). It was also used to synthesize sulfonylbenzoic acid esters as potential inhibitors of oestrone sulphatase with antitumor activities.
Suppliers36 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
盐城通铭生物科技有限公司15195160625 · [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]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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