Basic information
- CAS
55579-99-2- Standard SMILES
COc1ccc(OCCCC(=O)O)cc1- InChIKey
WUHMCXAVTAKIAE-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenoxy)butanoic acid
- IUPAC
- 4-(4-methoxyphenoxy)butanoic acid
- English name
- 4-(4-Methoxyphenoxy)butyric Acid
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
4-(4-methoxyphenoxy)butanoic acidDTXSID40290342RefChem:514312DTXCID70241488850-188-055579-99-24-(4-Methoxyphenoxy)butyric AcidMFCD019106264-(4-Methoxy-phenoxy)-butyric acidNSC68187Enamine_004373SCHEMBL8029095
Show more names
Butanoic acid, 4-(4-methoxyphenoxy)-
WUHMCXAVTAKIAE-UHFFFAOYSA-NHMS1406G174-(4-Methoxyphenoxy)-butyric acidFCA57999gamma-(p-methoxyphenoxy)butyric acidNSC-68187SBB015169AKOS000200822
Database identifiers
- CAS
55579-99-2- PubChem CID
- 249649
- DTXSID
DTXSID40290342- EC Number
- 850-188-0
- Nikkaji
- J913.473E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 101 °C · 101 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 394.4 · 394.4±22.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- solubility
- soluble in Dichloromethane, Methanol
- form
- Solid
- pka
- 4.57 · 4.57±0.10(Predicted)
- color
- Light Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-(4-Methoxyphenoxy)butyric Acid is a reactant used in the preparation of anti-implantation agents and hallucinogenic phenethylamines analogs.
Suppliers14 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
吉良化学21-62165282 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
6 records
Compound notes
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