ChemicalBook--->CAS DataBase List--->1076-56-8

1076-56-8

1076-56-8 Structure

1076-56-8 Structure
IdentificationBack Directory
[Name]

FEMA 3436
[CAS]

1076-56-8
[Synonyms]

FEMA 3436
NSC 404221
Methylthymol
O-Methylthymol
thymol Me ether
methylthymolether
methylthymylether
thymylmethylether
3-METHOXY-P-CYMENE
Thymyl methyl ether
thymyl methyl oxide
THYMOL METHYL ETHER
Methyl thymol ether
Methyl thymyl ether
2-isopropyl-5-methyl-anisol
2-isopropyl-5-methylanisole
2-isopropyl-5-methyl-Anisole
4-Isopropyl-3-methoxytoluene
Anisole, 2-isopropyl-5-methyl-
1-ISOPROPYL-2-METHOXY-4-METHYLBENZENE
1-METHYL-3-METHOXY-4-ISOPROPYLBENZENE
2-methoxy-4-methyl-1-propan-2-ylbenzene
2-methoxy-4-methyl-1-propan-2-yl-benzene
2-methoxy-4-methyl-1-(1-methylethyl)-benzen
5-Methyl-2-(1-methylethyl)-1-methoxybenzene
2-methoxy-4-methyl-1-(1-methylethyl)-Benzene
Benzene,2-methoxy-4-methyl-1-(1-methylethyl)-
Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-
[EINECS(EC#)]

214-063-9
[Molecular Formula]

C11H16O
[MDL Number]

MFCD01674973
[MOL File]

1076-56-8.mol
[Molecular Weight]

164.24
Chemical PropertiesBack Directory
[Boiling point ]

214-216 °C(lit.)
[density ]

0.94 g/mL at 25 °C(lit.)
[FEMA ]

3436 | 1-METHYL-3-METHOXY-4-ISOPROPYLBENZENE
[refractive index ]

n20/D 1.5063(lit.)
[Fp ]

51 °C
[storage temp. ]

-20°C Freezer
[solubility ]

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

Oil
[color ]

Colourless
[Odor]

at 1.00 % in dipropylene glycol. woody smoky burnt
[biological source]

synthetic
[Odor Type]

herbal
[JECFA Number]

1246
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
[InChIKey]

LSQXNMXDFRRDSJ-UHFFFAOYSA-N
[SMILES]

COc1cc(C)ccc1C(C)C
[LogP]

3.93
[EPA Substance Registry System]

2-Isopropyl-5-methylanisole (1076-56-8)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

10-36/37/38
[Safety Statements ]

26-36
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[RTECS ]

BZ8770000
[TSCA ]

TSCA listed
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2909309090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

May be prepared from thymol and dimethylsulfate in alkaline solution; from sodium thymolate with dimethylsulfate in water.
[Occurrence]

In the oils of French Christinium maritinium, Orhodon madai, O. hirtum, O. tenuicaule, O. japonicum albiflorum, O. pseudohirtum, O. goshizanese, Eupatorium fortunei, and Monarda punctata. Also reported found in tangerine peel oil, thyme, clove leaf, ginger and sweet marjoram
[Uses]

2-Isopropyl-5-methylanisole can be used for antifungal and antibiofilm activities.
[Definition]

ChEBI: Thymol methyl ether is a monoterpenoid.
[Preparation]

From thymol and dimethylsulfate in alkaline solution; from sodium thymolate with dimethylsulfate in water.
[General Description]

Natural occurrence: Coffee, french fried potato.
[Biochem/physiol Actions]

Taste at 1.0-5.0 ppm
Spectrum DetailBack Directory
[Spectrum Detail]

2-Isopropyl-5-methylanisole(1076-56-8)1HNMR
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