Products for Research Use Only
RegisterLogin

Benzyl acetate-d5

CAT: 0804-HY-N7124SSize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N7124SSize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Benzyl acetate-d5 is the deuterium labeled Benzyl acetate. Benzyl acetate is an aromatic ester with a jasmine scent. Benzyl acetate found in plants and is commonly used as a base fragrance ingredient in perfumes, cosmetics, and soap fragrances. Benzyl acetate is also one of the largest varieties in the synthetic fragrance industry[2][3].
CAS Number
1398065-57-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CC(OCC1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])=O
Molecular Formula
C9H5D5O2
Molecular Weight
155.21
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Schiestl FP, et al. Odor compound detection in male euglossine bees. J Chem Ecol. 2003 Jan;29 (1) :253-7.|[3]Ke Q, et al. Metabolic engineering of Escherichia coli for high-level production of benzyl acetate from glucose. Microb Cell Fact. 2024 Sep 3;23 (1) :238.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Benzyl-2,3,4,5,6-d5 Acetate
CAS Number1398065-57-0
PubChem CID145705695
IUPAC Name(2,3,4,5,6-pentadeuteriophenyl)methyl acetate
Molecular FormulaC9H10O2
Molecular Weight155.20
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])COC(=O)C)[2H])[2H]
InChI
InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/i2D,3D,4D,5D,6D
InChIKey
QUKGYYKBILRGFE-VIQYUKPQSA-N
Chemical Structure
2D Structure
2D structure of Benzyl-2,3,4,5,6-d5 Acetate
CAS: 1398065-57-0
CID: 145705695
Formula: C9H10O2
MW: 155.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass155.099463287
Monoisotopic Mass155.099463287
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N7124-01Benzyl acetate
HY-B0892S2-01Benzyl alcohol-d5
HY-B0935S-01Benzyl benzoate-d5
HY-N7090S-01Benzyl cinnamate-d5
HY-128733SPhenyl acetate-d5
HY-W102356S2Phenethyl acetate-d5
HY-B1203AS-01Fludrocortisone acetate-d5
HY-13570BS1-01Betamethasone acetate-d5
HY-W744577-01Dexamethasone acetate-d5
HY-N7124R-01Benzyl acetate (Standard)

Alternative Products

CatalogName
B222626Benzyl-2,3,4,5,6-d5 Acetate
TRC-B222625-10GBenzyl Acetate
TRC-B233677-250MGBenzyl-d5 Chloride
162818Benzyl-d5 Bromide
DE2033Benzyl alcohol-D5
CS-BX-00300Benzyl alcohol D5

Popular Products