2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester

Modify Date: 2024-01-09 11:53:13

2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester Structure
2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester structure
Common Name 2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester
CAS Number 31456-98-1 Molecular Weight 192.21100
Density 1.129g/cm3 Boiling Point 275.7ºC at 760 mmHg
Molecular Formula C11H12O3 Melting Point N/A
MSDS N/A Flash Point 111.3ºC

 Names

Name methyl 2-hydroxy-3-prop-2-enylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.129g/cm3
Boiling Point 275.7ºC at 760 mmHg
Molecular Formula C11H12O3
Molecular Weight 192.21100
Flash Point 111.3ºC
Exact Mass 192.07900
PSA 46.53000
LogP 1.90730
Index of Refraction 1.545

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VO1100000
CHEMICAL NAME :
Salicylic acid, 3-allyl-, methyl ester
CAS REGISTRY NUMBER :
31456-98-1
BEILSTEIN REFERENCE NO. :
0777684
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-O3
MOLECULAR WEIGHT :
192.23
WISWESSER LINE NOTATION :
1U2R BQ CVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
530 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,213,1960

 Safety Information

HS Code 2918290000

 Synthetic Route

~99%

2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester Structure

2-Hydroxy-3-(2-...

CAS#:31456-98-1

Literature: Bristol-Myers Squibb Company Patent: EP1027043 B1, 2004 ; Location in patent: Page/Page column 19 ;

~%

2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester Structure

2-Hydroxy-3-(2-...

CAS#:31456-98-1

Literature: Meyers, A. I.; Reuman, Michael; Gabel, Richard A. Journal of Organic Chemistry, 1981 , vol. 46, # 4 p. 783 - 788

~0%

2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester Structure

2-Hydroxy-3-(2-...

CAS#:31456-98-1

Literature: Meyers, A. I.; Reuman, Michael; Gabel, Richard A. Journal of Organic Chemistry, 1981 , vol. 46, # 4 p. 783 - 788

~%

2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester Structure

2-Hydroxy-3-(2-...

CAS#:31456-98-1

Literature: Walker, Edward R.; Leung, Shing Y.; Barrett, Anthony G.M. Tetrahedron Letters, 2005 , vol. 46, # 38 p. 6537 - 6540

~24%

2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester Structure

2-Hydroxy-3-(2-...

CAS#:31456-98-1

Literature: Dombroski; Snider Tetrahedron, 1992 , vol. 48, # 8 p. 1417 - 1426

~%

2-Hydroxy-3-(2-propen-1-yl)benzoic acid methyl ester Structure

2-Hydroxy-3-(2-...

CAS#:31456-98-1

Literature: Robertson, David W.; Lacefield, William B.; Bloomquist, William; Pfeifer, William; Simon, Richard L.; Cohen, Marlene L. Journal of Medicinal Chemistry, 1992 , vol. 35, # 2 p. 310 - 319

~0%

Detail
Literature: Dombroski; Snider Tetrahedron, 1992 , vol. 48, # 8 p. 1417 - 1426

~0%

Detail
Literature: Dombroski; Snider Tetrahedron, 1992 , vol. 48, # 8 p. 1417 - 1426

 Customs

HS Code 2918290000
Summary HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-allyl-2-hydroxy-benzoic acid methyl ester
methyl 3-Allyl-2-Hydroxybenzoate
3-Allylsalicylic acid methyl ester
methyl-2-hydroxy-3-allylbenzoate
Methyl 3-allylsalicylate
Salicylic acid,3-allyl-,methyl ester
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