1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-met hyl-

Modify Date: 2025-08-25 17:58:03

1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-met hyl- Structure
1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-met hyl- structure
Common Name 1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-met hyl-
CAS Number 86560-17-0 Molecular Weight 306.78400
Density 1.28g/cm3 Boiling Point 521.2ºC at 760 mmHg
Molecular Formula C17H19ClO3 Melting Point N/A
MSDS N/A Flash Point 269ºC

 Names

Name 4-[(4-chlorophenyl)-hydroxymethyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.28g/cm3
Boiling Point 521.2ºC at 760 mmHg
Molecular Formula C17H19ClO3
Molecular Weight 306.78400
Flash Point 269ºC
Exact Mass 306.10200
PSA 46.53000
LogP 3.94960
Index of Refraction 1.596
InChIKey XSLSAXKPTOACNO-UHFFFAOYSA-N
SMILES CC1=C(C(O)c2ccc(Cl)cc2)C2(CCCCC2)OC1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RP3675395
CHEMICAL NAME :
1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-methyl-
CAS REGISTRY NUMBER :
86560-17-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H19-Cl-O3
MOLECULAR WEIGHT :
306.81

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 18,147,1983

 Synthetic Route

~%

1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-met hyl- Structure

1-Oxaspiro(4.5)...

CAS#:86560-17-0

Literature: Paris; Payard; Tronche; et al. European Journal of Medicinal Chemistry, 1983 , vol. 18, # 2 p. 147 - 150

~%

1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-met hyl- Structure

1-Oxaspiro(4.5)...

CAS#:86560-17-0

Literature: Paris; Payard; Tronche; et al. European Journal of Medicinal Chemistry, 1983 , vol. 18, # 2 p. 147 - 150

~%

1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-chlorophenyl)hydroxymethyl)-3-met hyl- Structure

1-Oxaspiro(4.5)...

CAS#:86560-17-0

Literature: Paris; Payard; Tronche; et al. European Journal of Medicinal Chemistry, 1983 , vol. 18, # 2 p. 147 - 150

 Synonyms

4-((4-Chlorophenyl)hydroxymethyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one
1-[(4-chlorophenyl)-hydroxymethyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
1-Oxaspiro(4.5)dec-3-en-2-one,4-((4-chlorophenyl)hydroxymethyl)-3-methyl
4-Chlorohydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]
4-Chlorohydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4
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