Basic information
- CAS
91061-46-0- Standard SMILES
COc1ccccc1C(C)C(=O)O- InChIKey
NUSLQDOXLCYVTQ-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
Names & identifiers
- Preferred name
- 2-(2-Methoxyphenyl)propanoic acid
- IUPAC
- 2-(2-methoxyphenyl)propanoic acid
- English name
- (S)-2(2-Methoxyphenyl)propionic acid
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
2-(2-methoxyphenyl)propanoic Acid91061-46-0RefChem:454113874-241-2MFCD006675242-(2-Methoxyphenyl)propanoicacidBenzeneacetic acid, 2-methoxy-a-methyl-Benzeneacetic acid, 2-methoxy-alpha-methyl-2-(2-METHOXY-PHENYL)-PROPIONIC ACID(S)-2(2-methoxyphenyl)propionic acid2-(2-Methoxyphenyl)propionic acidBenzeneacetic acid, 2-methoxy-|A-methyl-
Show more names
Benzeneacetic acid, 2-methoxy-α-methyl-
(methoxyphenyl)propionic acid96687-71-7SCHEMBL362211NUSLQDOXLCYVTQ-UHFFFAOYSA-N2-(2-Methoxy-Phenyl)-Propiopic AcidAKOS010488831DS-16753SY113943
Database identifiers
- CAS
91061-46-0- PubChem CID
- 4453465
- EC Number
- 874-241-2
- Nikkaji
- J3.101.660F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 115 · 115-120 °C(Press: 0.18 Torr)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.19 · 4.19±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
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
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers20 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
凌源贝卞森生物科技有限公司18642120371 · [email protected]
Related reactions
21 records
Compound notes
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