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2-Allylphenol

CAT: 0286-A15230-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-A15230-01Size:100 g
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CAS Number
1745-81-9
UN Code
UN2923
Pictogram
05 - Corrosive; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00002250
Hazard Statement
H301 Toxic if swallowed; H311 Toxic in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Corrosive Solid, Toxic, N.O.S.
DOT Classification
Class 8, 6.1
Packaging Group
PGIII
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301 IF SWALLOWED: P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Allylphenol

2-allylphenol is a member of the class of phenols that is phenol carrying an allyl group at position 2. It has a role as an antifungal agrochemical.

CAS Number1745-81-9
PubChem CID15624
IUPAC Name2-prop-2-enylphenol
Molecular FormulaC9H10O
Molecular Weight134.17
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity109
SMILES
C=CCC1=CC=CC=C1O
InChI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChIKey
QIRNGVVZBINFMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Allylphenol
CAS: 1745-81-9
CID: 15624
Formula: C9H10O
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass134.073164938
Monoisotopic Mass134.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity109
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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