ChemicalBook--->CAS DataBase List--->539-52-6

539-52-6

539-52-6 Structure

539-52-6 Structure
IdentificationBack Directory
[Name]

perillen
[CAS]

539-52-6
[Synonyms]

perillen
perillene
Perillen, >
Perillen, >90%
3-Isohexenylfuran
3-(4-Methyl-3-pentenyl)furan
3-(4-methylpent-3-en-1-yl)furan
Furan,3-(4-methyl-3-penten-1-yl)-
[Molecular Formula]

C10H14O
[MDL Number]

MFCD28387433
[MOL File]

539-52-6.mol
[Molecular Weight]

150.22
Chemical PropertiesBack Directory
[Boiling point ]

186℃
[density ]

0.913±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.47053 (589.3 nm, 21℃)
[Fp ]

55.9±5.6℃
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml; Ethanol: 10 mg/ml
[form ]

Oil
[color ]

Colourless
[Odor]

at 100.00?%. woody
[Stability:]

Volatile
[InChI]

InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
[InChIKey]

XNGKCOFXDHYSGR-UHFFFAOYSA-N
[SMILES]

O1C=CC(CC/C=C(\C)/C)=C1
[LogP]

3.773 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H312+H332-H319
[Precautionary statements ]

P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P321-P362+P364-P337+P313-P370+P378-P403+P235-P501
Hazard InformationBack Directory
[Chemical Properties]

Liquid, soluble in methanol, derived from Zanthoxylum bungeanum.
[Uses]

Perillene is a component of the essential oil, has antibacterial and antitumor effects[1].
[Definition]

ChEBI: A monoterpenoid that is furan in which the hydrogen at position 3 is replaced by a 4-methylpent-3-en-1-yl group. A defensive allomone of thrips that has a flowery, citrus-like flavour.
[References]

[1] Honda G,?et al. Genetic control?of geranial formation in?Perilla frutescens. Biochem Genet.?1994 Jun;32(5-6):155-9. DOI:10.1007/BF00554619
Spectrum DetailBack Directory
[Spectrum Detail]

perillen(539-52-6)1HNMR
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