Results for:
PubChem ID: 8635

Methyl 2-aminobenzoate

Mass-Spectra

Compound Details

Synonymous names
METHYL ANTHRANILATE
Methyl 2-aminobenzoate
134-20-3
2-Aminobenzoic acid methyl ester
Methyl o-aminobenzoate
o-Carbomethoxyaniline
Anthranilic acid methyl ester
2-Carbomethoxyaniline
2-(Methoxycarbonyl)aniline
Benzoic acid, 2-amino-, methyl ester
Anthranilic acid, methyl ester
O-methyl anthranilate
FEMA No. 2682
o-Aminobenzoic acid methyl ester
methyl antranilate
NSC 3109
Methylester kyseliny anthranilove
CHEBI:73244
o-Amino methyl benzoate
MFCD00007710
DTXSID6025567
2-Aminobenzoic acid-methyl ester
o-Aminobenzoic acid, methyl ester
2-amino-benzoic acid methyl ester
981I0C1E5W
Methyl ester of o-Aminobenzoic acid
NSC-3109
Methyl 2-Aminobenzoate (Methyl Anthranilate)
DTXCID105567
Amino methyl benzoate, o-
Benzoic acid, amino-, methyl ester
CAS-134-20-3
Methyl anthranilate (natural)
CCRIS 1349
HSDB 1008
EINECS 205-132-4
Epa Pesticide Chemical Code 128725
BRN 0606965
Methylester kyseliny anthranilove [Czech]
METHYL-2-AMINOBENZOATE
UNII-981I0C1E5W
AI3-01022
Methylanthranilate; Methyl 2-aminobenzoate; 2-Aminobenzoic acid methyl ester
FEMA 2682
Carbomethoxyaniline
2-Aminobenzoic acid, methyl ester
methyl aminobenzoate
o-methoxycarbonylaniline
methyl 2-amino-benzoate
WLN: ZR BVO1
SCHEMBL57713
Methyl 2-aminobenzoate, 99%
CHEMBL1493986
METHYL ANTHRANILATE [MI]
METHYL ANTHRANILATE [FCC]
NSC3109
2-amino benzoic acid methyl ester
METHYL ANTHRANILATE [FHFI]
METHYL ANTHRANILATE [HSDB]
METHYL ANTHRANILATE [INCI]
METHYL ANTHRANILATE [VANDF]
METHYL ANTHRANILATE [MART.]
STR00871
Tox21_201657
Tox21_300347
BDBM50581836
METHYL ANTHRANILATE [WHO-DD]
methyl ester of o-amino benzoic acid
STK045541
AKOS000119222
AM10669
CS-W019645
MCULE-3500477192
Methyl anthranilate, >=98%, FCC, FG
NCGC00091409-01
NCGC00091409-02
NCGC00091409-03
NCGC00254347-01
NCGC00259206-01
AC-11600
BENZOIC ACID METHYL ESTER,2-AMINO
HY-77342
Methyl-2-aminobenzoate Methyl anthranilate
5-NITRO-PYRIDINE-2-SULFONYLCHLORIDE
DB-042220
Methyl anthranilate, natural, >=99%, FG
A0500
NS00002018
C20634
D77860
Methyl 2-aminobenzoate, ReagentPlus(R), >=99%
Methyl anthranilate, natural (US), >=99%, FG
Q420894
W-108288
F2141-0131
Methyl 2-aminobenzoate, Vetec(TM) reagent grade, 98%
InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H
Microorganism:

Yes

IUPAC namemethyl 2-aminobenzoate
SMILESCOC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
FormulaC8H9NO2
PubChem ID8635
Molweight151.16
LogP1.9
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds nitrogen compounds amines benzenoids esters
CHEBI-ID73244
Supernatural-IDSN0385104

mVOC Specific Details

Boiling Point
DegreeReference
256 °C peer reviewed
Volatilization
The Henry's Law constant for methyl anthranilate is estimated as 1.9X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.027 mm Hg(1), and water solubility, 2,850 mg/liter(2). This Henry's Law constant indicates that methyl anthranilate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 16 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 178 days(SRC). Methyl anthranilate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl anthranilate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984) (2) Beilstein Handbook of Organic Chemistry; 4th ed, EIV, 14: 1008 (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of methyl anthranilate is estimated as 250(SRC), using a log Kow of 1.88(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl anthranilate is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc, p. 42 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.71X10-2 mm Hg @ 25 deg C /Extrapolated/Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Sp.antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean SeaGómez et al. 2021
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Sp.ISP2 (International Streptomyces Project) mediaGS-MSyes
ProkaryotaChondromyces Crocatusn/an/ano