Paradol

HCID 94378
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
27113-22-0
Standard SMILES
CCCCCCCC(=O)CCc1ccc(O)c(OC)c1
InChIKey
CZNLTCTYLMYLHL-UHFFFAOYSA-N
Molecular formula
C17H26O3
Average molar mass
278.4 g/mol
Monoisotopic mass
278.18819469

Overview

[6]-Paradol is a ketone, a monomethoxybenzene and a member of phenols.

Names & identifiers

Preferred name
Paradol
IUPAC
1-(4-hydroxy-3-methoxyphenyl)decan-3-one
English name
1-(4-hydroxy-3-methoxyphenyl)decan-5-one
Molecular formula
C17H26O3
Molecular weight
278.39

Names & synonyms

Paradol27113-22-06-Paradol1-(4-hydroxy-3-methoxyphenyl)decan-3-one5-Paradol[6]-GingeroneBO24ID7E9UFEMA NO. 4665Heptyl 4-hydroxy-3-methoxyphenethyl ketoneDTXSID901815741-(4-hydroxy-3-methoxyphenyl)-decan-3-one(6)-GINGERONE
Show more names
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone6-Paradol 98%ParadoCcris 8519Brn 1984119
1-(4'-hydroxy-3'-methoxyphenyl)-3-decanoneRefChem:425652DTXCID30104065248-228-1[6]-Paradol1-(4-Hydroxy-3-methoxyphenyl)decan-5-one3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-(6)-PARADOL

Database identifiers

CAS
27113-22-0
PubChem CID
94378
DTXSID
DTXSID90181574
ChEMBL
CHEMBL2071440
ChEBI
CHEBI:10137
UNII
BO24ID7E9U
EC Number
248-228-1
Nikkaji
J129.700G

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
20

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Practically insoluble or insoluble in water

Soluble (in ethanol)

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point406.00 to 408.00 °C. @ 760.00 mm Hg
Melting Point31 - 32 °C

Physicochemical properties

Boiling point
406.4 · 406.4±30.0 °C(Predicted)
Density
1.069 g/cm3 · 1.0690 g/cm3
refractive index
1.5232 · 1.5232 (589.3 nm 20℃)
FEMA
4665 · 4665 | 1-(4-HYDROXY-3-METHOXYPHENYL)DECAN-3-ONE
FLAVIS Number
7.234 · 07.234 | 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 77.4% (89 of 115) of all reports.

Warning

H317 (22.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (22.6%)

Safety data

wgk
WGK 2
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H317
Precautionary statements
P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Applications

UsesParadol is a Gingerol related compound from ginger with antioxidant activity and cancer preventive properties.

Upstream & downstream products

Suppliers100 total

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山西玉宁生物科技有限公司13623677056
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
广东恒添生物科技有限公司15603008518 · [email protected]

Additional notes

DefinitionChEBI: [6]-Paradol is a member of phenols, a ketone and a monomethoxybenzene.

Related reactions

2 records
New reaction record

Compound notes

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