Trans-β-Ionylidene Ethanol

CAT: 1299-RG-A262934-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262934-01Size:10 mg

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CAS Number

3917-39-3

Synonyms

(E) - (β-Ionylidene) ethanol; β-Ionylideneethanol; (2E,4E) -3-methyl-5- (2,6,6-trimethylcyclohex-1-en-1-yl) penta-2,4-dien-1-ol

Molecular Formula

C15H24O

Molecular Weight

220.36

Target Alternative Name

Retinoic Acid

Product Name Synonym

(E) - (β-Ionylidene) ethanol; β-Ionylideneethanol; (2E,4E) -3-methyl-5- (2,6,6-trimethylcyclohex-1-en-1-yl) penta-2,4-dien-1-ol

Chemical Information

(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadiene-1-ol

(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadiene-1-ol has been reported in Blakeslea trispora with data available.

CAS Number	3917-39-3
PubChem CID	9964517
IUPAC Name	(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-ol
Molecular Formula	C15H24O
Molecular Weight	220.35
XLogP	3.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	329

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/CO)/C

InChI

InChI=1S/C15H24O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9,16H,5-6,10-11H2,1-4H3/b8-7+,12-9+

InChIKey

VSMDCVLKAAVJFW-ANKZSMJWSA-N

Chemical Structure

2D Structure

CAS: 3917-39-3

CID: 9964517

Formula: C15H24O

MW: 220.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.35
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	220.182715385
Monoisotopic Mass	220.182715385
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-E200884-01	Ethanol
RG-D091614-01	Trans, Trans-Dibenzylideneacetone
RG-E200870-01	2- (Ethylamino) Ethanol
RG-B051421-01	2- (Benzylamino) Ethanol
RM-S120118-01	R-Sulforaphane (In Ethanol)
RG-E141486-01	2- (Trimethylsilyl) ethanol
RM-A010950-01	Arachidonoyl Ethanolamide (In Ethanol)
RG-A131421-01	2- (Aminooxy) Ethanol
RG-M052103-01	Trans-Anethole
RG-A260577-01	Trans-Zeatin

Catalog	Name
D56110	2-Dodecenal, Cis & Trans Mixture 10% in Ethanol
D00825-01	Trans-2-Decen-1-al 10% in Ethanol
TRC-J210520-1ML	trans-Jasmonic Acid (1 g/ 10 mL Ethanol)
280480-01	(7E,9Z) -b-Ionylidene acetaldehyde
019000	(3-Oxo-α-ionylidene) acetonitrile
sc-471191	(7E,9Z) -β-Ionylidene Acetaldehyde
014923	(7E,9E) -β-Ionylidene Acetaldehyde
MBS6116793-01	(7E,9Z)-beta-Ionylidene Acetaldehyde
TRC-I734000-25MG	(7E,9E)-beta-Ionylidene Acetaldehyde
AR-I01612-01	(7E,9Z) -beta-Ionylidene Acetaldehyde