1'-acetoxyestragole

Modify Date: 2024-01-10 12:46:52

1'-acetoxyestragole Structure
1'-acetoxyestragole structure
 Common Name 1'-acetoxyestragole
CAS Number 61691-82-5 Molecular Weight 206.23800
Density 1.057g/cm3 Boiling Point 289.8ºC at 760 mmHg
Molecular Formula C12H14O3 Melting Point N/A
MSDS N/A Flash Point 117.1ºC

 Names

Name 1-(4-methoxyphenyl)prop-2-enyl acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.057g/cm3
Boiling Point 289.8ºC at 760 mmHg
Molecular Formula C12H14O3
Molecular Weight 206.23800
Flash Point 117.1ºC
Exact Mass 206.09400
PSA 35.53000
LogP 2.48540
Index of Refraction 1.505

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DO9205000
CHEMICAL NAME :
Benzyl alcohol, p-methoxy-alpha-vinyl-, acetate (ester)
CAS REGISTRY NUMBER :
61691-82-5
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C12-H14-O3
MOLECULAR WEIGHT :
206.26
WISWESSER LINE NOTATION :
1VOY1U1&R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20626 ug/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Cells - not otherwise specified
DOSE/DURATION :
300 umol/L
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 3,929,1982

 Safety Information

HS Code 2915390090

 Synthetic Route

1'-hydroxyestragole structure

1'-hydroxyestragole

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Ethanoic anhydride structure

Ethanoic anhydride

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~81%

1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Marques, Francisco A.; Oliveira, Marcos A.; Frensch, Gustavo; Sales Maia, Beatriz Helena L. N.; Barison, Andersson; Lenz, Cesar A.; Guerrero Jr., Palimecio G. Letters in Organic Chemistry, 2011 , vol. 8, # 10 p. 696 - 700
4-Methoxybenzaldehyde structure

4-Methoxybenzal...

CAS#:123-11-5

~%

1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Shekhar, Shashank; Trantow, Brian; Leitner, Andreas; Hartwig, John F. Journal of the American Chemical Society, 2006 , vol. 128, # 36 p. 11770 - 11771
Vinylmagnesium bromide structure

Vinylmagnesium ...

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4-Methoxybenzaldehyde structure

4-Methoxybenzal...

CAS#:123-11-5
Acetyl chloride structure

Acetyl chloride

CAS#:75-36-5

~76%

1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Fleming; Renault; Grundy; Pincock Canadian Journal of Chemistry, 2006 , vol. 84, # 9 p. 1146 - 1154
(E)-3-(4-Methoxyphenyl)acrylic acid structure

(E)-3-(4-Methox...

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~%

1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Fleming; Renault; Grundy; Pincock Canadian Journal of Chemistry, 2006 , vol. 84, # 9 p. 1146 - 1154
Ethyl 4-methoxycinnamate structure

Ethyl 4-methoxy...

CAS#:24393-56-4

~%

1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Fleming; Renault; Grundy; Pincock Canadian Journal of Chemistry, 2006 , vol. 84, # 9 p. 1146 - 1154
acetic acid (E)-3-(4-methoxy-phenyl)-allyl ester structure

acetic acid (E)...

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~%

3-(4-methoxyphenyl)prop-1-en-1-yl acetate structure

3-(4-methoxyphe...

CAS#:91496-96-7
1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Fleming; Renault; Grundy; Pincock Canadian Journal of Chemistry, 2006 , vol. 84, # 9 p. 1146 - 1154
4-Methoxycinnamyl alcohol structure

4-Methoxycinnam...

CAS#:53484-50-7

~%

1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Fleming; Renault; Grundy; Pincock Canadian Journal of Chemistry, 2006 , vol. 84, # 9 p. 1146 - 1154
4-Chlorobenzaldehyde structure

4-Chlorobenzaldehyde

CAS#:104-88-1

~%

1'-acetoxyestragole Structure

1'-acetoxyestragole

CAS#:61691-82-5
Literature: Hamilton, David S.; Nicewicz, David A. Journal of the American Chemical Society, 2012 , vol. 134, # 45 p. 18577 - 18580

 Customs

HS Code 2915390090
Summary 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

 Synonyms

1'-Acetoxyestragole
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