3-Cyclohexenecarboxylic acid
Names
[ CAS No. ]:
4771-80-6
[ Name ]:
3-Cyclohexenecarboxylic acid
[Synonym ]:
Cyclohex-3-ene-1-carboxylic acid
Cyclohex-3-enecarboxylic acid
EINECS 225-314-7
3-Cyclohexene-1-carboxylic acid
3-Cyclohexenecarboxylic acid
MFCD00013781
1,2,3,6-Tetrahydrobenzoic Acid
3-Cyclohexene carboxylicacid
Chemical & Physical Properties
[ Density]:
1.081
[ Boiling Point ]:
238 ºC
[ Melting Point ]:
17ºC
[ Molecular Formula ]:
C7H10O2
[ Molecular Weight ]:
126.153
[ Flash Point ]:
109.9±16.2 °C
[ Exact Mass ]:
126.068077
[ PSA ]:
37.30000
[ LogP ]:
1.46
[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C
[ Index of Refraction ]:
1.48-1.482
[ Stability ]:
Stable. Combustible. Incompatible with bases, strong oxidizing agents.
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GW3675000
- CHEMICAL NAME :
- 3-Cyclohexene-1-carboxylic acid
- CAS REGISTRY NUMBER :
- 4771-80-6
- BEILSTEIN REFERENCE NO. :
- 1617723
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C7-H10-O2
- MOLECULAR WEIGHT :
- 126.17
- WISWESSER LINE NOTATION :
- L6UTJ DVQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,315,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4260 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
Safety Information
[ Symbol ]:
GHS05, GHS07
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H312-H314
[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310
[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
C:Corrosive;
[ Risk Phrases ]:
R21;R34
[ Safety Phrases ]:
S26-S36/37/39-S45
[ RIDADR ]:
UN 3265
[ WGK Germany ]:
3
[ RTECS ]:
GW3675000
[ Packaging Group ]:
III
[ Hazard Class ]:
8.0
[ HS Code ]:
2916209090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2916209090
[ Summary ]:
2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
Articles
Environ. Sci. Technol. 48(4) , 2344-51, (2014)
The effect of halides on organic contaminant destruction efficiency was compared for UV/H2O2 and UV/S2O8(2-) AOP treatments of saline waters; benzoic acid, 3-cyclohexene-1-carboxylic acid, and cyclohe...
Mutational biosynthesis of a FK506 analogue containing a non-natural starter unit.Mol. Biosyst. 9(5) , 944-7, (2013)
A FK506 analogue containing a non-natural starter unit was obtained through mutasynthesis by feeding cultures of Streptomyces sp. KCTC 11604BP fkbO deletion mutant with 3-cyclohexene-1-carboxylic acid...
Synthesis and antiviral evaluation of cis-substituted cyclohexenyl and cyclohexanyl nucleosides.J. Med. Chem. 48(2) , 450-6, (2005)
Starting from commercially available (rac)-3-cyclohexene-1-carboxylic acid, a series of purine and pyrimidine cis-substituted cyclohexenyl and cyclohexanyl nucleosides were synthesized through a key M...