Basic information
- CAS
17581-85-0- Standard SMILES
COc1ccc(C=CCO)cc1- InChIKey
NYICIIFSBJOBKE-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
3-(4-methoxyphenyl)prop-2-en-1-ol has been reported in Clausena anisata, Rhodiola rosea, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)prop-2-en-1-ol
- IUPAC
- 3-(4-methoxyphenyl)prop-2-en-1-ol
- English name
- 3-(4-Methoxyphenyl)-2-propen-1-ol
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
3-(4-methoxyphenyl)prop-2-en-1-olMFCD00182606SCHEMBL358997SCHEMBL1278753SCHEMBL2095633NYICIIFSBJOBKE-UHFFFAOYSA-NDTXSID901025775CID 95641AKOS026730685DB-182758F8691873-(4-Methoxyphenyl)-2-propen-1-ol
Show more names
2-Propen-1-ol, 3-(4-methoxyphenyl)-(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ol
Database identifiers
- CAS
17581-85-0- PubChem CID
- 95641
- DTXSID
DTXSID901025775
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 76 · 76-78°
- Boiling point
- 315.7 · 315.7±22.0 °C(Predicted)
- Density
- 1.08 · 1.08
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.53 · 14.53±0.10(Predicted)
- form
- Solid
- color
- Off White to Pale Yellow
- LogP
- 1.64 · 1.640 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P362+P364
- HazardClass
- IRRITANT
- HS Code
- 2909498090 · 2909498090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909498090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P362+P364
Chemistry & industry
Applications
Uses3-(4-Methoxyphenyl)-2-propen-1-ol is a useful reagent.
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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