CAS No.4638-92-0,TRANS-(+)-CHRYSANTHEMIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4638-92-0
Name:	TRANS-(+)-CHRYSANTHEMIC ACID
Article Data:	62

Formula:	C₁₀H₁₆O₂
Molecular Weight:	168.236
Synonyms:	Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3R)- (9CI);Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,(1R-trans)-;Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-,(1R,3R)-(+)- (8CI);(+)-trans-2,2-Dimethyl-3-isobutenyl-1-cyclopropanecarboxylic acid;(+)-trans-Chrysanthemic acid;(+)-trans-Chrysanthemumic acid;(1R,3R)-Chrysanthemic acid;(1R-trans)-Chrysanthemic acid;1R,3R-(+)-trans-Chrysanthemic acid;d-trans-Chrysanthemic acid;d-trans-Chrysanthemumic acid;d-trans-Chrysanthemummonocarboxylic acid;trans-(+)-Chrysanthemic acid;
EINECS:	225-067-5
Density:	1.077 g/cm³
Melting Point:	17-21 °C
Boiling Point:	246.4 °C at 760 mmHg
Flash Point:	119 °C
Solubility:	Soluble in water
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26-37/39
PSA:	37.30000
LogP:	2.30940

Raw Materials

5460-63-9

27335-32-6

Total:61 Page 1 of 2 1 2 Next>>

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Specification

The (+)-trans-Chrysanthemic acid, with the CAS registry number 4638-92-0, is also known as (1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid. Its EINECS registry number is 225-067-5. This chemical's molecular formula is C₁₀H₁₆O₂ and molecular weight is 168.23. Its IUPAC name is called (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate. This chemical is clear colorless to yellow liquid. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of (+)-trans-Chrysanthemic acid: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 31.62; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 316.13; (8)ACD/KOC (pH 7.4): 6.64; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 49.48 cm³; (14)Molar Volume: 156 cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.077 g/cm³; (17)Flash Point: 119 °C; (18)Enthalpy of Vaporization: 53.25 kJ/mol; (19)Boiling Point: 246.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0088 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=CC1C(C1(C)C)C(=O)[O-])C
(2)Isomeric SMILES: CC(=C[C@@H]1[C@H](C1(C)C)C(=O)[O-])C
(3)InChI: InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/p-1/t7-,8+/m1/s1
(4)InChIKey: XLOPRKKSAJMMEW-SFYZADRCSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	98mg/kg (98mg/kg)		Journal of Agricultural and Food Chemistry. Vol. 22, Pg. 212, 1974.
rat	LDLo	intravenous	60600ug/kg (60.6mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Pesticide Biochemistry and Physiology. Vol. 6, Pg. 491, 1976.