ChemicalBook--->CAS DataBase List--->31906-04-4

31906-04-4

31906-04-4 Structure

31906-04-4 Structure
IdentificationMore
[Name]

Lyral
[CAS]

31906-04-4
[Synonyms]

3-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(4-HYDROXY-4-METHYL PENTYL)
4-(4-HYDROXY-4-METHYLPENTYL)-3-CYCLOHEXENE-1-CARBOXALDEHYDE
LYRAL
3-cyclohexene-1-carboxaldehyde,-(4-hydroxy-4-methylpentyl)-
4-(4-hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyd
4-(4-hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde
HYDROXYISOHEXYL 3-CYCLOHEXENE CARBOXALDEHYDE
4(4-hydroxy-4-methylpentyl)3-cyclohexene carboxaldehyde
Hydroxymethylpentylcyclohexenecarboxaldehyde
4-HYDROXY-4-METHYLPENTYL-3-CYCLOHEXENE-CARBOXALDEHYDE
HYDROXYMETHYLPENTYLCYCLOHEXENE-CARBOXYALDEHYDE
4-(4-Hydroxy-4-methylpentyl)cyclohex-3-encarbaldehyd
4-(4-HYDROXY-4-METHYLPENTYL)-3-CYCLOHEXENE-1-CARBOXALDEHYE
New-Lilialdehyde
4(or3)-(4-hydroxy-4-methylphenyl)-3-cyclohexen-1-carboxyaldehyde
[EINECS(EC#)]

250-863-4
[Molecular Formula]

C13H22O2
[MDL Number]

MFCD00019423
[Molecular Weight]

210.31
[MOL File]

31906-04-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

289.85°C (rough estimate)
[density ]

0.995 g/mL at 20 °C
[refractive index ]

1.486-1.493
[Fp ]

93 °C
[storage temp. ]

2-8°C
[solubility ]

Benzene (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

15.31±0.29(Predicted)
[color ]

Colourless to Pale Yellow
[Odor]

at 100.00 %. floral muguet cyclamen rhubarb woody
[Odor Type]

floral
[Cosmetics Ingredients Functions]

PERFUMING
FRAGRANCE
[InChI]

1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3
[Contact allergens]

Lyral ® is a synthetic blend of two isomers, and one of the most frequently encountered allergen in perfumes. It has to be listed by name in the ingredients of cosmet- ics in the EU, according to the seventh amendment of the cosmetic directive 76/768/EEC.
[InChIKey]

ORMHZBNNECIKOH-UHFFFAOYSA-N
[SMILES]

[H]C(=O)C1CCC(CCCC(C)(C)O)=CC1
[LogP]

2.080
[Uses]

hydroxyisohexyl 3-cyclohexene carboxaldehyde is fragrance with a light floral scent. It may cause skin irritation.
[CAS DataBase Reference]

31906-04-4(CAS DataBase Reference)
[EPA Substance Registry System]

31906-04-4(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Trade name]

Lydocal (Hangzhou), Lyral® (IFF)
Safety DataBack Directory
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

2
[RTECS ]

GW2850000
[F ]

10-23
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
Spectrum DetailBack Directory
[Spectrum Detail]

Lyral(31906-04-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

31906-04-4(sigmaaldrich)
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