3-Cyclohexenecarboxylic acid

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • butadiene
  • Acrylic acid
  • 3-Cyclohexene-1-carboxaldehyde
  • 2-(prop-2-enyl)hex-5-enoic acid
  • 3-Cyclohexen-1-ylmethanol
  • 1-Carbomethoxy-3-cyclohexene
  • 3-Cyclohexenecarboxylic acid
  • ginsene
  • 4-Cyanocyclohexene
  • 3-Methoxybenzoic acid

DownStream

  • Gabaculine HCl
  • Cyclohex-3-ene-1-carboxamide
  • (S)-(-)-3-Cyclohexenecarboxylic acid
  • 3-Cyclohexenecarboxylic acid
  • 1,2,4-Butanetricarboxylic acid
  • Cyclohexanecarboxylic acid
  • Pimelic acid
  • cyclohex-3-ene-1-carbonyl chloride
  • 1-Carbomethoxy-3-cyclohexene
  • 2-(1-cyclohex-3-enyl)acetonitrile

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

Comparison of halide impacts on the efficiency of contaminant degradation by sulfate and hydroxyl radical-based advanced oxidation processes (AOPs).

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...


More Articles

Related Compounds

  • 3-Cyclohexenecarboxylic acid
  • 3-Cyclohexenecarboxylic acid
  • 5-Oxo-3-cyclohexenecarboxylic acid
  • 1-Methyl-3-cyclohexenecarboxylic acid
  • 3-phenyl-3-cyclohexenecarboxylic acid
  • 3-methyl-3-cyclohexenecarboxylic acid
  • N-(4-acetamidophenyl)-2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
  • N-(2-ethoxyphenyl)-2-((3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
  • 2-Amino-5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-thiadiazole
  • 5-(2-Methylphenethyl)-1,3,4-thiadiazol-2-amine
  • N-cyclohexyl-2-((3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
  • 4-(Aminomethyl)phenyl acetate
  • 2-Amino-5-(3,4-dichlorophenethyl)-1,3,4-thiadiazole
  • Methyl 2-guanidinoacetate
  • Cyclopentanecarboxylic acid, 2-ethenyl-5-oxo-, methyl ester, trans-
  • Methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
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