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6902-77-8

Basic Information
CAS No.: 6902-77-8
Name: Cyclopenta[c]pyran-4-carboxylicacid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester,(1R,4aS,7aS)-
Article Data: 17
Cas Database
Molecular Structure:
Molecular Structure of 6902-77-8 (Cyclopenta[c]pyran-4-carboxylicacid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester,(1R,4aS,7aS)-)
Formula: C11H14O5
Molecular Weight: 226.229
Synonyms: Cyclopenta[c]pyran-4-carboxylicacid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, [1R-(1a,4aa,7aa)]-;Cyclopenta[c]pyran-4-carboxylic acid, 1,4aa,5,7aa-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester (8CI);Genipin(6CI);(+)-Genipin;
EINECS: 300-006-4
Density: 1.35 g/cm3
Melting Point: 106-108°C(lit.)
Boiling Point: 416 °C at 760 mmHg
Flash Point: 164.9 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 22
Transport Information: UN 2811 6.1/PG 3
PSA: 75.99000
LogP: -0.05330
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    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0/Metric Ton

    Hangzhou Huarong Pharm Co., Ltd.established since 2009, has been actively developing specialty products for Finished Dosages, APIs, Intermediates, and Fine chemicals markets in North America, Europe, Korea, Japan, Mid-East and all over the World.

    Hangzhou Huarong Pharm Co., Ltd.established since 2006 , has been actively developing specialty products for Finished Dosages, APIs, Intermediates, and Fine chemicals markets in No

  •  Huarong Industrial Group Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-571-86758373

    Address:Room1707, 7Th Floor, Xin Chuanmei Industry Building , No.58 of Xintang Road, Jianggan District, Hangzhou, China.

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  • GENIPINCAS NO.: 6902-77-8

  • Casno:

    6902-77-8

    GENIPINCAS NO.: 6902-77-8

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 4.0-4.0/Kilogram

    1)quick response within 12 hours; 2)quality guarantee: all products are strictly tested by our qc, confirmed by qa and approved by third party lab in china, usa, canada, germany, uk, italy, france etc. 3) oem/odm available; 4) rea

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

  •  Henan Wentao Chemical Product Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-370-2722992

    Address:32 Room, 5th Floor, Building 11, No. 6 Yinxing Road, High-tech Industrial Development Zone, Zhengzhou City, Henan Province

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Specification

The IUPAC name of Genipin is methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate . With the CAS registry number 6902-77-8, it is also named as Cyclopenta(c)pyran-4-carboxylic acid, 1,4a-alpha,5,7a-alpha-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester .

The Genipin can be found in the gardenia fruit extract. It is is used to relieve the symptoms of type 2 diabetes in traditional Chinese medicine. Research indicated that this product is indeed effective. This research is conducted at the Beth Israel Deaconess Medical Center and Harvard Medical School . It is also used as a cross-linking agent for immobilized enzyme, the raw materials for gardenia blue pigment preparation, the regulating agent for drug delivery, as well as the intermediate for alkaloid synthetic etc.

The Genipin  is poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes. Do not breathe dust.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 5 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 5 ; (4)Index of Refraction: 1.564 ; (5)Molar Refractivity: 54.52 cm3 ; (6)Molar Volume: 167.4 cm3 ; (7)Polarizability: 21.61×10-24 cm3 ; (8)Surface Tension: 53.5 dyne/cm ; (9)Enthalpy of Vaporization: 77.3 kJ/mol ; (10)Vapour Pressure: 1.17E-08 mmHg at 25°C ; (11)Rotatable Bond Count: 3 ; (12)Exact Mass: 226.084124 ; (13)MonoIsotopic Mass: 226.084124 ; (14)Topological Polar Surface Area: 76 ; (15)Heavy Atom Count: 16.

People can use the following data to convert to the molecule structure. SMILES: O=C(OC)\C1=C\O[C@@H](O)[C@@H]2\C(=C/C[C@H]12)CO; InChI: InChI=1/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1.

The following is the toxicity data which has been tested. 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 157, 1974.
mouse LD50 intravenous 153mg/kg (153mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 157, 1974.
mouse LD50 oral 237mg/kg (237mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 157, 1974.
rat LD oral > 50mg/kg (50mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 19, Pg. 259, 1980.