ChemicalBook--->CAS DataBase List--->15121-94-5

15121-94-5

15121-94-5 Structure

15121-94-5 Structure
IdentificationBack Directory
[Name]

PRIMIN
[CAS]

15121-94-5
[Synonyms]

PRIMIN
Isolan
PRIMIN(P)
IsolanPRIMIN
2-Methoxy-6-pentyl-p-benzoquinone
2-Methoxy-6-phentyl-p-benzochinone
2-Pentyl-6-methoxy-1,4-benzoquinone
2-METHOXY-6-N-PENTYL-P-BENZOQUINONE
2-METHOXY-6-PENTYL-1,4-BENZOQUINONE
2-METHOXY-6-N-PENTYL-1,4-BENZOQUINONE
2-Methoxy-6-pentyl-2,5-cyclohexadiene-1,4-dione
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-pentyl-
[Molecular Formula]

C12H16O3
[MDL Number]

MFCD00221604
[MOL File]

15121-94-5.mol
[Molecular Weight]

208.25
Chemical PropertiesBack Directory
[Melting point ]

77-79℃
[Boiling point ]

163 °C(Press: 3 Torr)
[density ]

1.06±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

2-8°C
[solubility ]

Acetonitrile: soluble; Ethanol: soluble; Ethyl Acetate: soluble; Methanol: soluble
[form ]

A solid
[Major Application]

food and beverages
[InChI]

InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3
[Contact allergens]

Primin is the major allergen of Primula obconica Hance (Primulaceae family). Allergic contact dermatitis is mainly occupational, occurring in florists and horticulturists.
[InChIKey]

WLWIMKWZMGJRBS-UHFFFAOYSA-N
[SMILES]

C1(=O)C(CCCCC)=CC(=O)C=C1OC
Hazard InformationBack Directory
[Definition]

ChEBI: A member of the class of 1,4-benzoquinones having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position.
[Description]

Primin is the allergen of Primula obconica. Occupational contact dermatitis occurs mainly in florists and horticulturists.
[Uses]

Primin can be prepared to use for SAR docking and antioxidant activity due to the activity of COX/5-LOX inhibitors with quinone and resorcinol core. It can also be used for its cytotoxic mechanisms toward human acute lymphoblastic leukemia, multiple myeloma and acute myeloid leukemia cells.
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
[Signal word ]

Danger
[Hazard statements ]

H317-H302-H334-H332-H312
[Precautionary statements ]

P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-P501-P280-P302+P352-P312-P322-P363-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Resp. Sens. 1
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

PRIMIN(15121-94-5)1HNMR
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