3-Cyclohexene-1-carboxylicacid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-

Modify Date: 2025-08-21 13:16:46

3-Cyclohexene-1-carboxylicacid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl- structure	Common Name	3-Cyclohexene-1-carboxylicacid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-
	CAS Number	1755-52-8	Molecular Weight	274.35500
	Density	1.081g/cm3	Boiling Point	426.1ºC at 760mmHg
	Molecular Formula	C₁₇H₂₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	152.3ºC

Name	3-ethyl-4-(4-methoxyphenyl)-2-methylcyclohex-3-ene-1-carboxylic acid
Synonym	More Synonyms

Density	1.081g/cm3
Boiling Point	426.1ºC at 760mmHg
Molecular Formula	C₁₇H₂₂O₃
Molecular Weight	274.35500
Flash Point	152.3ºC
Exact Mass	274.15700
PSA	46.53000
LogP	3.98950
Vapour Pressure	5.09E-08mmHg at 25°C
Index of Refraction	1.531
InChIKey	VJKVHUZOVAWKEB-UHFFFAOYSA-N
SMILES	CCC1=C(c2ccc(OC)cc2)CCC(C(=O)O)C1C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW4430000

CHEMICAL NAME :: 3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(p-methoxyphenyl)-2-methyl-

CAS REGISTRY NUMBER :: 1755-52-8

BEILSTEIN REFERENCE NO. :: 2653888

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C17-H22-O3

MOLECULAR WEIGHT :: 274.39

WISWESSER LINE NOTATION :: L6UTJ AR DO1& B2 C1 DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 126 mg/kg/6W-I

TOXIC EFFECTS :: Behavioral - anorexia (human) Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting

REFERENCE :: CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 56,641,1972 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 16 mg/kg

SEX/DURATION :: male 8 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

REFERENCE :: JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 12,381,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 30 ug/kg

SEX/DURATION :: female 1 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 167,105,1969

HS Code	2918990090

3-ethyl-2-methy...

CAS#:57124-75-1

3-Cyclohexene-1...

CAS#:1755-52-8

Literature: Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

N/A

CAS#:103364-99-4

4-Anisylmagnesi...

CAS#:13139-86-1

3-Cyclohexene-1...

CAS#:1755-52-8

5-ethyl-4-(4-me...

CAS#:24771-50-4

Literature: Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

5-ethyl-4-(4-me...

CAS#:24771-50-4

p-Toluenesulfon...

CAS#:104-15-4

acetic acid

CAS#:64-19-7

3-Cyclohexene-1...

CAS#:1755-52-8

Literature: Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

2c-Methyl-3c-et...

CAS#:107596-55-4

p-Toluenesulfon...

CAS#:104-15-4

acetic acid

CAS#:64-19-7

3-Cyclohexene-1...

CAS#:1755-52-8

Literature: Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

Hydrochloric acid

CAS#:7647-01-0

5-ethyl-4-(4-me...

CAS#:24771-50-4

benzene

CAS#:71-43-2

3-Cyclohexene-1...

CAS#:1755-52-8

Literature: Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

Precursor 8
CAS#:57124-75-1 3-ethyl-2-methy... CAS#:13139-86-1 4-Anisylmagnesi... CAS#:24771-50-4 5-ethyl-4-(4-me... CAS#:104-15-4 p-Toluenesulfon...
CAS#:64-19-7 acetic acid CAS#:107596-55-4 2c-Methyl-3c-et... CAS#:7647-01-0 Hydrochloric acid CAS#:71-43-2 benzene
DownStream 0

HS Code	2918990090
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-Cyclohexene-1-carboxylic acid,3-ethyl-4-(p-methoxyphenyl)-2-methyl

ORF 2166

3-Aethyl-4-(4-methoxy-phenyl)-2-methyl-cyclohex-3-encarbonsaeure

3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid

U 2911

3-ethyl-4-(4-methoxy-phenyl)-2-methyl-cyclohex-3-enecarboxylic acid

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3-Cyclohexene-1-carboxylicacid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-

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