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

Modify Date: 2025-08-25 20:00:58

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
InChIKey BRFCIUCUICKZFD-UHFFFAOYSA-N
SMILES C=CCc1cccc(C(=O)OC)c1O

 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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