ChemicalBook--->CAS DataBase List--->5113-87-1

5113-87-1

5113-87-1 Structure

5113-87-1 Structure
IdentificationBack Directory
[Name]

(1R)-(+)-TRANS-ISOLIMONENE
[CAS]

5113-87-1
[Synonyms]

(E)-Isolimonene
trans-Isolimonene
(1R,4R)-Isolimonene
1R-TRANS ISOLIMONENE
ISOLIMONENE, 1R-TRANS
(+)-trans-Isolimonene
(+)-P-MENTHA-2,8-DIENE
isolimonene,trans-(+)-
Isolimonene, trans-(+)-
(+)-3R-trans-Isolimonene
(1R)-(+)-TRANS-ISOLIMONENE
(+)-(1R,4R)-trans-Isolimonene
[1R,4R,(+)]-p-Mentha-2,8-diene
p-mentha-2,8-diene,(1R,4R)-(+)-
(1R)-(+)-TRANS-ISOLIMONENE 95+%
p-Mentha-2,8-diene, (1R,4R)-(+)-
3-Isopropenyl-6-methyl-1-cyclohexene
Cyclohexene,3-methyl-6-(1-methylethenyl)
(3R,6R)-3-ISOPROPENYL-6-METHYLCYCLOHEXENE
(1R,4R)-1-Isopropenyl-4-methyl-2-cyclohexene
(3R,6R)-3-methyl-6-prop-1-en-2-ylcyclohexene
(3R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohexene
(+)-trans-1-Methyl-4-isopropenyl-2-cyclohexene
(3R,6R)-3-Methyl-6-(1-methylethenyl)cyclohexene
(3R-trans)-3-methyl-6-(1-methylvinyl)cyclohexene
(3R-trans)-3-methyl-6-(1-methylethenyl)cyclohexene
[3R,6R,(+)]-3-Methyl-6-(1-methylethenyl)cyclohexene
[3S,6S,(-)]-3-Methyl-6-(1-methylethenyl)cyclohexene
Cyclohexene, 3-methyl-6-(1-methylethenyl)-, (3R,6R)-
cyclohexene,3-methyl-6-(1-methylethenyl)-,(3R-trans)-
Cyclohexene, 3-methyl-6-(1-methylethenyl)-, (3R-trans)-
(+)-p-Mentha-2,8-diene, (3R,6R)-3-Isopropenyl-6-methylcyclohexene
[EINECS(EC#)]

225-843-3
[Molecular Formula]

C10H16
[MDL Number]

MFCD00042629
[MOL File]

5113-87-1.mol
[Molecular Weight]

136.23
Chemical PropertiesBack Directory
[Boiling point ]

165-166 °C (lit.)
[density ]

0.83 g/mL at 20 °C (lit.)
[refractive index ]

n20/D 1.47(lit.)
[Fp ]

39 °C
[Optical Rotation]

[α]20/D +212±5°, c = 10% in ethanol
[BRN ]

2073245
[InChI]

1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3/t9-,10-/m0/s1
[InChIKey]

TWCNAXRPQBLSNO-UWVGGRQHSA-N
[SMILES]

C[C@@H]1CC[C@H](C=C1)C(C)=C
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

10-51/53-22
[Safety Statements ]

61
[RIDADR ]

UN 1169 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 3
Hazard InformationBack Directory
[Uses]

(+)-trans-Isolimonene is a natural monoterpene isolated from essential oil[1].
[Definition]

ChEBI: Isolimonene is a monoterpene that is cyclohex-1-ene substituted by a methyl group at position 3 and a prop-1-en-2-yl group at position 6 respectively. It has a role as a plant metabolite and a human metabolite. It is a cycloalkene and a p-menthadiene.
[References]

[1] Naigre, R., et al. Comparison of Antimicrobial Properties of Monoterpenes and their Carbonylated Products. Planta Medica, 62(03), 275–277.
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