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(+)-Anymol

CAT: 0572-TRC-A697863-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A697863-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76738-75-5
Synonyms
3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αS,1R)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (αS,1R)- (9CI); 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, [S-(R*,S*)]-; (αS,1R)-α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol; (+)-Anymol; (+)-epi-α-Bisabolol; (2S)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Hazard Statement
May cause an allergic skin reaction; UN number: UN3077; Packing Group: III
Purity
>95% (GC)
Smiles
CC(=CCC[C@](C)(O)[C@@H]1CCC(=CC1)C)C
Molecular Formula
C15 H26 O
Molecular Weight
222.37
InChI
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1
Additionnal Information
IUPAC name: (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

alpha-Bisabolol, (+)-epi-

(+)-epi-alpha-bisabolol is a sesquiterpenoid that is bisabolane having double bonds at positions 2 and 9 as well as a hydroxy substituent at position 7. It derives from a hydride of a bisabolane.

CAS Number76738-75-5
PubChem CID1201551
IUPAC Name(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Molecular FormulaC15H26O
Molecular Weight222.37
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity284
SMILES
CC1=CC[C@@H](CC1)[C@](C)(CCC=C(C)C)O
InChI
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1
InChIKey
RGZSQWQPBWRIAQ-GJZGRUSLSA-N
Chemical Structure
2D Structure
2D structure of alpha-Bisabolol, (+)-epi-
CAS: 76738-75-5
CID: 1201551
Formula: C15H26O
MW: 222.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.37
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass222.198365449
Monoisotopic Mass222.198365449
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
DDA14859-01(-) -Anymol
441642-01(+) -Anymol
441641-01Anymol
441643-01Anymol-D3
441644-01(+) -Anymol-D3

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