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Terpinyl Butyrate

CAT: 0013-GTR19272663-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272663-01Size:200 mg
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Description
Terpinyl Butyrate is a terpenoid ester widely used in biochemical experiments and drug synthesis research.
CAS Number
2153-28-8
Smiles
O=C (OC (C) (C) C1CC=C (C) CC1) CCC
Molecular Formula
C14H24O2
Molecular Weight
224.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-Terpinyl butyrate

Alpha-Terpineol butanoate is a p-menthane monoterpenoid.

CAS Number2153-28-8
PubChem CID578423
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate
Molecular FormulaC14H24O2
Molecular Weight224.34
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity276
SMILES
CCCC(=O)OC(C)(C)C1CCC(=CC1)C
InChI
InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3
InChIKey
LWKWNIYBQLKBMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Terpinyl butyrate
CAS: 2153-28-8
CID: 578423
Formula: C14H24O2
MW: 224.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.34
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass224.177630004
Monoisotopic Mass224.177630004
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T01330Terpinyl butyrate
KAA23563-01γ-Terpinyl acetate
S5691-25mgTerpinyl Acetate
sc-233786(±) -α-Terpinyl acetate
T01333-01Terpinyl formate
TN9134-01β-Terpinyl acetate
T8079α-​Terpinyl acetate
BUP19297A-?Terpinyl acetate
T01340-01Terpinyl propionate
T01335Terpinyl isobutyrate

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