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Basic information
- CAS
458-35-5- Standard SMILES
COc1cc(C=CCO)ccc1O- InChIKey
JMFRWRFFLBVWSI-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Overview
4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenol has been reported in Magnolia officinalis, Paecilomyces fulvus, and other organisms with data available.
Names & identifiers
- Preferred name
- Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-
- IUPAC
- 4-(3-hydroxyprop-1-enyl)-2-methoxyphenol
- English name
- CONIFERYL ALCOHOL
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-4-(3-hydroxyprop-1-enyl)-2-methoxyphenolRefChem:10949114-(3-Hydroxyprop-1-en-1yl)-2-methoxyphenolMFCD00002922(E/Z)-Coniferol; 4-Hydroxy-3-methoxycinnamyl alcohol (cis/trans mixture)Oprea1_201369SCHEMBL177684SCHEMBL29791428AKOS028108458SY106827DB-051336
Show more names
(E)-4-(3-hydroxyprop-1-en-1-yl)-2-MethoxyphenolConiferolConiferylic alcoholConiferyl alcohol,99%4-(3-Hydroxy-1-propenyl)-2-methoxyphenolCONIFERYL ALCOHOLp-Coniferyl alcoholγ-hydroxyisoeugenolG-HYDROXY ISOEUGENOL
3-(4-hydroxy-3-methoxyphenyl)-prop-2-enolS6429
Database identifiers
- CAS
458-35-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 75 · 75-80 °C(lit.)
- Boiling point
- 163 · 163-165 °C3 mm Hg(lit.)
- Density
- 1.1272 · 1.1272 (rough estimate)
- refractive index
- 1.508 · 1.5080 (estimate)
- RTECS
- 5367000 · SL5367000
- Flash point
- 163 · 163-165°C/3mm
- storage temp.
- -20 °C · -20°C
- solubility
- alcohol: moderately soluble(lit.)
- pka
- 9.99 · 9.99±0.35(Predicted)
- form
- Solid
- color
- Pale Yellow to Light Yellow
- Sensitive
- Light Sensitive
- Merck
- 14 · 14,2504
- BRN
- 2048961 · 2048961
- Stability
- Light Sensitive
- InChI
- 1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPhenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- F
- 4.8-8-10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29095000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesConiferyl alcohol was used as a fungal growth inhibitor.
General DescriptionConiferyl alcohol is one of the preferred substrate of the eucalpytus globus enzyme.
Upstream & downstream products
Downstream products
Suppliers100 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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