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MSDS  : 3-Cyclohexene-1-carboxylic acid, 5-ethyl-6-methyl-4-phenyl-
CAS  : 7698-97-7
SYNONYMS  : * Fenestrel * 2-Methyl-3-ethyl-4-phenyl-4-cyclohexene carboxylic acid * 2-Methyl-3-ethyl-4-phenyl-delta(sup 4)-cyclohexenecarboxylic acid * ORF 3858
*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER : GW4450000
CHEMICAL NAME : 3-Cyclohexene-1-carboxylic acid,
5-ethyl-6-methyl-4-phenyl-
CAS REGISTRY NUMBER : 7698-97-7
BEILSTEIN REFERENCE NO. : 1879525
LAST UPDATED : 199612
DATA ITEMS CITED : 15
MOLECULAR FORMULA : C16-H20-O2
MOLECULAR WEIGHT : 244.36
WISWESSER LINE NOTATION : L6UTJ AR& DVQ E1 F2
COMPOUND DESCRIPTOR : Tumorigen
Reproductive Effector
SYNONYMS/TRADE NAMES :
* Fenestrel
* 2-Methyl-3-ethyl-4-phenyl-4-cyclohexene carboxylic acid
* 2-Methyl-3-ethyl-4-phenyl-delta(sup 4)-cyclohexenecarboxylic acid
* ORF 3858

*** HEALTH HAZARD DATA ***

** ACUTE TOXICITY DATA **

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 2350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
19,412,1971

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 680 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
19,412,1971

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
19,412,1971

TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Mammal - dog
DOSE/DURATION : 20 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
19,412,1971

** TUMORIGENIC DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 27 mg/kg/52W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Skin and Appendages - tumors
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
19,412,1971

** REPRODUCTIVE DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE : 22500 ng/kg
SEX/DURATION : female 1-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
number of implants per female; total number of implants per corpora lutea)
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
before birth)
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 3,347,1971

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE : 100 ng/kg
SEX/DURATION : female 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 3,347,1971

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE : 25 ug/kg
SEX/DURATION : female 5 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 14,487,1976

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE : 6720 ng/kg
SEX/DURATION : female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S,
Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 20,211,1969

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Primate - monkey
DOSE : 10 mg/kg
SEX/DURATION : female 1-6 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 :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co.,
11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920-
Volume(issue)/page/year: 115,101,1973

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rabbit
DOSE : 150 ug/kg
SEX/DURATION : female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
number of implants per female; total number of implants per corpora lutea)
REFERENCE :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S,
Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 20,211,1969

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Unreported
SPECIES OBSERVED : Rodent - rabbit
DOSE : 290 ug/kg
SEX/DURATION : female 1-29 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
number of implants per female; total number of implants per corpora lutea)
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 2,85,1970

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Unreported
SPECIES OBSERVED : Rodent - rabbit
DOSE : 150 ug/kg
SEX/DURATION : female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
number of implants per female; total number of implants per corpora lutea)
REFERENCE :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S,
Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 18,18,1967

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - hamster
DOSE : 90 mg/kg
SEX/DURATION : female 1-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
number of implants per female; total number of implants per corpora lutea)
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 3,347,1971

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - hamster
DOSE : 700 ug/kg
SEX/DURATION : female 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 3,347,1971

*** END OF RECORD ***
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ALL Chemical Property And Toxicity Analysis PAGES IN THIS GROUP
NAMECAS
Cyclohexanecarboxamide,N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)- 35630-96-7
3-Cyclohexene-1-carboxaldehyde,4-(4-hydroxy-4-methylpentyl)- 31906-04-4
1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl- 2111-75-3
1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-,(S)-(-)- 18031-40-8
1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-,anti-oxime 30950-27-7
3-Cyclohexene-1-carboxaldehyde, 6-methyl- 89-94-1
3-Cyclohexene-1-carboxaldehyde,1-methyl-4-(4-methylpentyl)- 66327-54-6
3-Cyclohexene-1-carboxaldehyde,4-(5-methyl-3-penten-1-yl)- 80450-04-0
3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-, and3,5,6-trimethyl-3-cyclohexene-1- carboxaldehyde 1335-66-6
3-Cyclohexene-1-carboxamide, 1,4-dimethyl- 69352-88-1
1-Cyclohexene-1-carboxamide,2-hydroxy-N-(5-methyl-3-isoxazolyl)-4,6-dioxo-3,3,5,5-tetra- 2-propenyl-, monosodium salt 69352-88-1
Cyclohexanecarboxamide,N-(2-(7-methoxy-1-naphthalenyl)ethyl)- 138113-02-7
3-Cyclohexene-1-carboxamide, 1-methyl- 69352-89-2
3-Cyclohexenecarboxamide, thio- 64011-70-7
3-Cyclohexene-1-carboxylic acid 4771-80-6
3-Cyclohexene-1-carboxylic acid,4-((4-bromophenyl)amino)-6-methyl-2-oxo-, ethyl ester 149221-21-6
2-Cyclohexene-1-carboxylic acid,2-(4-carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-, (E,E)- 67192-53-4
3-Cyclohexene-1-carboxylic acid,4-((4-chlorophenyl)amino)-6-methyl-2-oxo-, ethylester 149221-20-5
3-Cyclohexene-1-carboxylic acid,4-((4-chlorophenyl)amino)-6-methyl-2-oxo-, methylester 142458-16-0
3-Cyclohexene-1-carboxylic acid,4-((5-chloro-2-pyridinyl)amino)-6-methyl-2-oxo-,methyl ester 149221-14-7
3-Cyclohexene-1-carboxylic acid,(2-cyclohexenyl)methyl ester 64011-52-5
3-Cyclohexene-1-carboxylic acid,6-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl) carbonyl)amino)ethyl)amino)carbonyl)- 93799-09-8
Cyclohexanecarboxamide, N-(4-methoxy-1-naphthyl)- 101564-22-1
3-Cyclohexene-1-carboxylic acid,6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl) carbonyl)amino)propyl)amino)carbonyl)- 93799-10-1
1-Cyclohexene-1-carboxylic acid,2-(2,4-dihydroxyphenyl)-, delta-lactone, O-ester withO,O- diethyl phosphorothioate 572-48-5
3-Cyclohexene-1-carboxylic acid,2-(dimethylamino)-1-phenyl-, ethyl ester,trans-(+-)-, (E)-2-butenedioate (1:1) 55567-81-2
3-Cyclohexene-1-carboxylic acid,2-(dimethylamino)-1-phenyl-, ethyl ester,hydrochloride, trans-(+-)- 27107-79-5
3-Cyclohexene-1-carboxylic acid,4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester 149221-28-3
2-Cyclohexene-1-carboxylic acid,2-(5-ethoxy-3-methyl-5-oxo-1,3-pentadienyl)-1,3-dimethyl- 4-oxo-, ethyl ester, (E,E)- 67192-51-2
1-Cyclohexene-1-carboxylic acid,2-((5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)- 160893-98-1
3-Cyclohexene-1-carboxylic acid,5-ethyl-4-(p-hydroxyphenyl)-6-methyl-, acetate(ester) 21161-63-7
3-Cyclohexene-1-carboxylic acid,5-ethyl-4-(p-hydroxyphenyl)-6-methyl-, sodium salt 22921-18-2
3-Cyclohexene-1-carboxylic acid,3-ethyl-4-(p-methoxyphenyl)-2-methyl- 1755-52-8
Cyclohexanecarboxamide,N-(1-methyl-2-(1-piperidinyl)ethyl)-N-2-pyridinyl- 54152-61-3
3-Cyclohexene-1-carboxylic acid,5-ethyl-6-methyl-4-phenyl- 7698-97-7
3-Cyclohexene-1-carboxylic acid,5-ethyl-6-methyl-4-phenyl-, sodium salt 16550-39-3
3-Cyclohexene-1-carboxylic acid,4-((4-ethylphenyl)amino)-6-methyl-2-oxo-, methylester 142458-15-9
1-Cyclohexene-1-carboxylic acid,2-((5-ethyl-1,3,4-thiadiazol-2-yl)amino)- 160893-96-9
3-Cyclohexene-1-carboxylic acid, 1-methyl- 16646-42-7
3-Cyclohexene-1-carboxylic acid, 2-methyl- 4736-19-0
3-Cyclohexene-1-carboxylic acid,2-(methylamino)-1-phenyl-, ethyl ester, trans-(+)- 37815-44-4
3-Cyclohexene-1-carboxylic acid,2-(methylamino)-1-phenyl-, ethyl ester, trans-(+)-,compd. with(R-(R*,R*))-2,3-bis(benzoyloxy)butanedioic acid 37815-44-4
3-Cyclohexene-1-carboxylic acid,2-(methylamino)-1-phenyl-, ethyl ester, trans-(+)-,compd. with(S-(R*,R*))-2,3-bis(benzoyloxy)butanedioic acid 37815-44-4
3-Cyclohexene-1-carboxylic acid,2-(methylamino)-1-phenyl-, ethyl ester,monohydrochloride, trans-(+)- 37815-45-5
Cyclohexanecarboxamide, 1-phenyl- 2890-60-0
3-Cyclohexene-1-carboxylic acid,2-(methylamino)-1-phenyl-, ethyl ester,monohydrochloride, trans-(+-)- 2890-60-0
3-Cyclohexene-1-carboxylic acid,6-methyl-4-((4-methylphenyl)amino)-2-oxo-, ethylester 149221-23-8
3-Cyclohexene-1-carboxylic acid,6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-,ethyl ester 149221-29-4
1-Cyclohexene-1-carboxylic acid,2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)- 160893-95-8
3-Cyclohexene-1-carboxylic acid, 2-phenyl-,2-dimethylaminoethyl ester, hydrochloride 160893-95-8

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