ChemicalBook--->CAS DataBase List--->7077-05-6

7077-05-6

7077-05-6 Structure

7077-05-6 Structure
IdentificationMore
[Name]

trans-4-Isopropylcyclohexane carboxylic acid
[CAS]

7077-05-6
[Synonyms]

HEXAHYDROCUMIC ACID
TRANS-4-(1-METHYLETHYL)CYCLOHEXANE CARBOXYLIC ACID
TRANS-4-ISOPROPYLCYCLOHEXANECARBOXYLIC ACID
trans-4-Isopropyl Cyclohexyl Carboxylic Acid
(1α,4β)-4-(1-Methylethyl)cyclohexanecarboxylic acid
trans-p-Menthan-7-oic acid
[EINECS(EC#)]

230-375-8
[Molecular Formula]

C10H18O2
[MDL Number]

MFCD04004145
[Molecular Weight]

170.25
[MOL File]

7077-05-6.mol
Chemical PropertiesBack Directory
[Melting point ]

95 °C
[Boiling point ]

263.8±8.0 °C(Predicted)
[density ]

0.996±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

4.91±0.10(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8-,9-
[InChIKey]

YRQKWRUZZCBSIG-KYZUINATSA-N
[SMILES]

[C@@H]1(C(O)=O)CC[C@@H](C(C)C)CC1
[CAS DataBase Reference]

7077-05-6(CAS DataBase Reference)
[EPA Substance Registry System]

7077-05-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[HS Code ]

2916205000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

trans-4-Isopropylcyclohexane carboxylic acid is an intermediate used in the process for the preparation of Nateglinide (N379375), a novel D-phenylalanine-derivative hypoglycemic agent.
[Uses]

trans-4-Isopropylcyclohexanecarboxylic acid is an intermediate used in the process for the preparation of Nateglinide (N379375), a novel D-phenylalanine-derivative hypoglycemic agent. Nateglinide USP Related Compound A.
Spectrum DetailBack Directory
[Spectrum Detail]

trans-4-Isopropylcyclohexane carboxylic acid(7077-05-6)MS
trans-4-Isopropylcyclohexane carboxylic acid(7077-05-6)1HNMR
trans-4-Isopropylcyclohexane carboxylic acid(7077-05-6)13CNMR
trans-4-Isopropylcyclohexane carboxylic acid(7077-05-6)IR1
trans-4-Isopropylcyclohexane carboxylic acid(7077-05-6)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

trans-4-Isopropylcyclohexanecarboxylic Acid,>98.0%(GC)(T)(7077-05-6)
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