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P-Tolyl Acetate

CAT: 0804-HY-W100410-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W100410-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P-Tolyl Acetate (p-Cresyl Acetate) is a synthetic fragrance chemical with high metabolic stability in trout and human hepatocytes[1].
CAS Number
140-39-6
Product Name Alternative
P-Cresyl Acetate
UNSPSC
12352005
Hazard Statement
H227, H302, H402
Target
Others
Related Pathways
Others
Field of Research
Others
Purity
99.84
Smiles
O=C(OC1=CC=C(C=C1)C)C
Molecular Formula
C9H10O2
Molecular Weight
150.18
Precautions
H227, H302, H402
References & Citations
[1]Weeks J, et al. In vitro evaluation of the metabolic stability of nine fragrance chemicals in trout and human hepatocytes[J]. Journal of Applied Toxicology, 2020, 40 (10) : 1421-1434.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

4-Methylphenyl acetate

Tolylacetate is a member of phenols and a benzoate ester.

CAS Number140-39-6
PubChem CID8797
IUPAC Name(4-methylphenyl) acetate
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CC1=CC=C(C=C1)OC(=O)C
InChI
InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKey
CDJJKTLOZJAGIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylphenyl acetate
CAS: 140-39-6
CID: 8797
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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