Basic information
- CAS
227105-11-5- Standard SMILES
O=C(O)/C=C/c1ccc(OCc2ccccc2)cc1- InChIKey
HCMSDYVKYZIYGA-DHZHZOJOSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- (2E)-3-[4-(benzyloxy)phenyl]prop-2-enoic acid
- IUPAC
- (E)-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
- English name
- 3-[4-(PhenylMethoxy)phenyl]-2-Propenoic acid
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
227105-11-5(2E)-3-[4-(benzyloxy)phenyl]prop-2-enoic acid3-(4-Benzyloxy-phenyl)-acrylic acid(2E)-3-(4-(benzyloxy)phenyl)prop-2-enoic acidRefChem:396471635-698-1826-150-46272-45-3(E)-3-(4-(Benzyloxy)phenyl)acrylic acid3-[4-(benzyloxy)phenyl]acrylic acid3-(4-(Benzyloxy)phenyl)acrylic acidMFCD00021778
Show more names
Compound 227105 11 5,Compound 227105115(E)-3-4-(phenylmethoxy)phenyl-2-propenoic acid2-Propenoic acid, 3-[4-(phenylmethoxy)phenyl]-, (2E)-
3-[4-(Benzyloxy)phenyl]prop-2-enoic acid(E)-3-(4-phenylmethoxyphenyl)prop-2-enoic acid3-[4-(phenylmethoxy)phenyl]-2-propenoic acidCHEMBL97369SCHEMBL527827orb2276614Compound 227105-11-5TPL0053
Database identifiers
- CAS
227105-11-5、6272-45-3- PubChem CID
- 736710
- ChEMBL
CHEMBL97369- EC Number
- 635-698-1、826-150-4
- Nikkaji
- J2.186.026C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 448.9 · 448.9±25.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.59 · 4.59±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers12 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
诺坦药业（启东）有限公司13906246579 13906246579 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [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]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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