Tocopheryl acetate

CAT: 1489-V7930-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-V7930-01Size:5 g

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CAS Number

7695-91-2

Purity

0.96

Chemical Information

Dl-alpha-tocopherol acetate

DL-alpha-Tocopherol acetate is a tocol.

CAS Number	7695-91-2
PubChem CID	2117
IUPAC Name	[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
Molecular Formula	C31H52O3
Molecular Weight	472.7
XLogP	10.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Heavy Atom Count	34
Formal Charge	0
Complexity	601

SMILES

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C

InChI

InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3

InChIKey

ZAKOWWREFLAJOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7695-91-2

CID: 2117

Formula: C31H52O3

MW: 472.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	472.7
XLogP3	10.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	472.39164552
Monoisotopic Mass	472.39164552
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	601
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
P7130-01	Phenethyl acetate
C7500	Leaf Acetate
D5680-01	Deoxycorticosterone Acetate
C2860	Cyproterone Acetate
S5330	Sodium acetate
A7031	Ammonium Acetate
A7030-01	Ammonium Acetate
A0170-01	Aluminum Acetate
C7731-01	Caspofungin Acetate
A6890	Alarelin Acetate

Catalog	Name
T13785-01	D-a-Tocopheryl acetate
T13805-01	DL-a-Tocopheryl acetate
AR-V01552-01	Tocopheryl Acetate EP Impurity A
AR-V01553-01	Tocopheryl Acetate EP Impurity B
RM-T031881-01	All-rac-α-Tocopheryl acetate EP Impurity A
Lipo-306C	Active Linoleic Acid & Tocopheryl Acetate Liposome
RM-T031882-01	All-rac-α-Tocopheryl acetate EP Impurity B
RM-T031862-01	All-rac-α-Tocopheryl acetate EP mpurity C; DL-α-Tocopherol Acetate
RG-A263152-01	All-Rac-Alfa-Tocopheryl Acetate EP Impurity D (Mixture Of Isomers)
RM-T031884-01	Vitamin E Impurity 84; all-rac-α-Tocopheryl Acetate EP Impurity D