(-) -Perillaldehyde - 95%

CAT: 0926-XP164875-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-XP164875-02Size:50 g

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CAS Number

18031-40-8

Smiles

CC (=C) [C@H]1CCC (=CC1) C=O

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

Controlled

Chemical Information

Perillaldehyde, (-)-

(-)-perillaldehyde has been reported in Perilla frutescens, Perilla frutescens var. crispa, and other organisms with data available.

CAS Number	18031-40-8
PubChem CID	2724159
IUPAC Name	(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	201

SMILES

CC(=C)[C@H]1CCC(=CC1)C=O

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1

InChIKey

RUMOYJJNUMEFDD-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 18031-40-8

CID: 2724159

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-P229700-5G	(±)-Perillaldehyde
TBZ2757	(-)-Perillaldehyde
GTR19221862-01	(+) -Perillaldehyde
T201464-01	(±) -Perillaldehyde
BUP16018	(-) -Perillaldehyde
S3205-25mg	Perillaldehyde
MBS5788815	(+)-Perillaldehyde
HY-N9840-01	(R) -Perillaldehyde
288469-01	(-) -Perillaldehyde discontinued
TRC-P287400-10MG	(R)-Perillaldehyde