Basic information
- CAS
40654-35-1- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1- InChIKey
WQOJBUZKWYRALG-UHFFFAOYSA-N- Molecular formula
- C24H40O3
- Average molar mass
- 376.6 g/mol
- Monoisotopic mass
- 376.29774513
Names & identifiers
- Preferred name
- Methyl 4-(hexadecyloxy)benzoate
- IUPAC
- methyl 4-hexadecoxybenzoate
- English name
- Methyl 4-n-hexadecyloxybenzoate
- Molecular formula
- C24H40O3
- Molecular weight
- 376.57
Names & synonyms
METHYL 4-(HEXADECYLOXY)BENZOATERefChem:816045653-197-6Methyl p-Hexadecyloxybenzoate40654-35-1Methyl 4-hexadecoxybenzoatemethyl 4-n-hexadecyloxybenzoateMethyl 4-hexadecyloxybenzoateMFCD00026641SCHEMBL3052051CHEMBL3273793DTXSID20405598
Show more names
TIMTEC-BB SBB008314Benzoic acid, 4-(hexadecyloxy)-, methyl ester
SBB008314AKOS015839849ST50410345F342099
Database identifiers
- CAS
40654-35-1- PubChem CID
- 4689974
- DTXSID
DTXSID20405598- ChEMBL
CHEMBL3273793- EC Number
- 653-197-6
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 69 · 69-71 °C
- Boiling point
- 473.2 · 473.2±18.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
1 records
Compound notes
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