Basic information
- CAS
31600-42-7- Standard SMILES
COC(=O)CCCOCc1ccccc1- InChIKey
HYPAAZHXIYWJBO-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Methyl 4-(benzyloxy)butanoate
- IUPAC
- methyl 4-phenylmethoxybutanoate
- English name
- 4-(Phenylmethoxy)butyric acid methyl ester
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
Methyl 4-(benzyloxy)butanoate31600-42-7DTXSID70340162RefChem:355425DTXCID90291243825-966-8methyl 4-phenylmethoxybutanoate4-(Phenylmethoxy)butyric acid methyl esterMFCD00027550methyl 4-benzyloxybutyratemethyl 4-benzyloxybutanoateButanoic acid, 4-(phenylmethoxy)-, methyl ester
Show more names
Methyl4-(benzyloxy)butanoateSCHEMBL4109675Methyl 4-(benzyloxy)butanoate #GBA60042AKOS009488530DB-294861CS-0234213A10009
Database identifiers
- CAS
31600-42-7- PubChem CID
- 562189
- DTXSID
DTXSID70340162- EC Number
- 825-966-8
- Nikkaji
- J122.263E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
2 records
Compound notes
Loading…