ChemicalBook--->CAS DataBase List--->4771-80-6

4771-80-6

4771-80-6 Structure

4771-80-6 Structure
IdentificationMore
[Name]

3-Cyclohexenecarboxylic acid
[CAS]

4771-80-6
[Synonyms]

1,2,3,6-TETRAHYDROBENZOIC ACID
3-CYCLOHEXENE-1-CARBOXYLIC ACID
3-CYCLOHEXENECARBOXYLIC ACID
CYCLOHEX-3-ENE-1-CARBOXYLIC ACID
CYCLOHEX-3-ENECARBOXYLIC ACID
RARECHEM AL BE 0004
TIMTEC-BB SBB006583
1-Cyclohexene-4-carboxylic acid
delta(Sup3)-Cyclohexenecarboxylic acid
delta(Sup3)-Cyclohexenylcarboxylic acid
delta3-Cyclohexenecarboxylic acid
delta3-Cyclohexenylcarboxylic acid
Kyselina 1,2,5,6-tetrahydrobenzoova
kyselina1,2,5,6-tetrahydrobenzoova
3-CYCLOHEXEN-1-CARBONSAEURE
3-CYCLOHEXENECARBOXYLIC ACID,98%
3-Cyclohexene-1-carboxylic acid ,98%
[EINECS(EC#)]

225-314-7
[Molecular Formula]

C7H10O2
[MDL Number]

MFCD00013781
[Molecular Weight]

126.15
[MOL File]

4771-80-6.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

17 °C (lit.)
[Boiling point ]

130-133 °C/4 mmHg (lit.)
[density ]

1.081 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.48(lit.)
[Fp ]

230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

V sol
[form ]

Liquid
[pka]

4.67±0.20(Predicted)
[color ]

Clear yellow-brownish to gray-bluish
[Specific Gravity]

1.08
[Stability:]

Stable. Combustible. Incompatible with bases, strong oxidizing agents.
[Water Solubility ]

insoluble
[BRN ]

1617723
[InChI]

1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
[InChIKey]

VUSWCWPCANWBFG-UHFFFAOYSA-N
[SMILES]

OC(=O)C1CCC=CC1
[CAS DataBase Reference]

4771-80-6(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Cyclohexene-1-carboxylic acid(4771-80-6)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

4771-80-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H312-H314
[Precautionary statements ]

P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

C,Xi
[Risk Statements ]

R21:Harmful in contact with skin.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[RTECS ]

GW3675000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29162090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Skin Corr. 1B
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Cyclohexenecarboxylic acid(4771-80-6).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

3-Cyclohexenylcarboxylic Acid has been found to be an oxidizable, nongrowth substrate and induces the metabolism of cyclohexanecarboxylic acid and benzoic acid in a strain of Pseudomonas putida. 3-Cyclohexenylcarboxylic Acid has been used as food for cultures of Streptomyces sp. ??KCTC 11604BP fkbO deletion mutant to make 32-dehydroxy-FK506, a FK506 analogue containing a non-natural starter unit.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyclohexenecarboxylic acid(4771-80-6)MS
3-Cyclohexenecarboxylic acid(4771-80-6)1HNMR
3-Cyclohexenecarboxylic acid(4771-80-6)IR1
3-Cyclohexenecarboxylic acid(4771-80-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Cyclohexenecarboxylic acid, 97%(4771-80-6)
[Alfa Aesar]

3-Cyclohexene-1-carboxylic acid, 98%(4771-80-6)
[Sigma Aldrich]

4771-80-6(sigmaaldrich)
[TCI AMERICA]

3-Cyclohexene-1-carboxylic Acid,>98.0%(GC)(T)(4771-80-6)
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