2-Propenylphenol
Basic information
- CAS
6380-21-8- Standard SMILES
CC=Cc1ccccc1O- InChIKey
WHGXZPQWZJUGEP-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Names & identifiers
- Preferred name
- 2-Propenylphenol
- IUPAC
- 2-prop-1-enylphenol
- English name
- 2-Propenylphenol
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
2-Propenylphenol2-(1-Propenyl)phenolo-(Prop-1-enyl)phenolDTXSID70871163Phenol, opropenylPhenol, 2propenylo(Prop1enyl)phenol2(1Propenyl)phenolPhenol, 2(1propenyl)RefChem:483241DTXCID108188356380-21-8
Show more names
(E)-2-(prop-1-en-1-yl)phenolBrn 2324090Einecs 228-961-3o-propenyl-pheno2-propenyl-phenoPhenol, o-propenyl-Phenol, 2-propenyl-2-(1-propenyl)-pheno
2-prop-1-enylphenolpropenylphenolPhenol, 2-(1-propenyl)-propenyl phenol138523-04-3SCHEMBL718133SCHEMBL1038004SCHEMBL1767263
Database identifiers
- CAS
6380-21-8- PubChem CID
- 93029
- DTXSID
DTXSID70871163- EC Number
- 228-961-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Phenols
Physical DescriptionColorless viscous liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -6 °C · -6°C
- Boiling point
- 230 · 230-231 °C(lit.)
- Density
- 1.044 g/mL · 1.044 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.578(lit.)
- Flash point
- 195 °F · 195 °F
- InChI
- InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-7,10H,1H3
- InChIKey
- WHGXZPQWZJUGEP-GORDUTHDSA-N
- SMILES
- C1(O)=CC=CC=C1C=CC
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 P9OH16T17 · 3P9OH16T17
- UNSPSC Code
- 12352100 · 12352100
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Regulatory InformationPhenol, 2-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- SM8575000
- ridadr
- UN 3145 8/PG 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
Description2-Propenylphenol, a mixture of cis and trans, is extensively employed in chemical research. 2-Propenylphenol, a Mixture Of Cis And Trans, is studied for its ability to polymerize and develop new polymeric materials with specific mechanical and chemical properties. It is utilized to investigate the effects of geometric isomerism on organic compounds' physical and chemical behaviour. The mixture′s role in synthesising advanced organic molecules, particularly those with potential applications in high-performance coatings and adhesives, is also a significant area of study.
General Description2-Propenylphenol on reaction with 2, 3-dichloro-5, 6-dicyanobenzoquinone yields spiropyran.
Related reactions
11 records
Compound notes
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