Results for:
PubChem ID: 8635

Methyl 2-aminobenzoate

Mass-Spectra

Compound Details

Synonymous names
Methylanthranilate
Methylester kyseliny anthranilove
o-methoxycarbonylaniline
o-Carbomethoxyaniline
Anthranilic acid methylester
methyl aminobenzoate
METHYL ANTHRANILATE
methyl antranilate
NATURAL METHYL ANTHRANILATE
VAMXMNNIEUEQDV-UHFFFAOYSA-N
2-Carbomethoxyaniline
NEROLI
Anthranilic acid methyl
Methyl o-aminobenzoate
Anthranilic acid methyl ester
ANTHRANILIC ACID:METHYL ESTER
O-methyl anthranilate
Nevoli oil
AC1L1REA
AC1Q5ZBB
Methyl 2-aminobenzoate
METHYL 2-ANTHRANILATE
METHYL-2-AMINOBENZOATE
Methylester kyseliny anthranilove [Czech]
o-Amino methyl benzoate
o-Aminobenzoic acid methyl ester
2-(Methoxycarbonyl)aniline
Anthranilic acid, methyl ester
Neroli oil, artifical
Neroli oil, artificial
AC1Q42HZ
Acetaminophen 100% Powder
Methyl anthranilate (natural)
2-Aminobenzoic acid methyl ester
methyl 2-amino-benzoate
Methyl ester of o-Aminobenzoic acid
KSC115A6D
o-Aminobenzoic acid, methyl ester
Natural Mandarin Pettigrain F.D.
NSC3109
PubChem13629
SCHEMBL57713
A0500
CTK0B5061
2-amino benzoic acid methyl ester
2-amino-benzoic acid methyl ester
2-Aminobenzoic acid, methyl ester
ACMC-209bu5
AS01236
BENZOIC ACID METHYL ESTER,2-AMINO
LS-775
RP21463
981I0C1E5W
Amino methyl benzoate, o-
C20634
CCRIS 1349
FEMA 2682
HSDB 1008
WLN: ZR BVO1
ZINC157525
BBL027653
CHEMBL1493986
DTXSID6025567
Jsp002075
NSC 3109
NSC-3109
OR025120
OR214658
OR214659
SBB059788
STK045541
ZB006711
CHEBI:73244
DSSTox_CID_5567
M-5862
Methyl 2-aminobenzoate, 99%
UNII-981I0C1E5W
AC-11600
AJ-15047
AK-41339
AN-23083
ANW-19611
CJ-01677
DSSTox_GSID_25567
KB-54722
LABOTEST-BB LTBB000479
SC-11429
ST2413278
TL8006109
TRA0074470
BB_SC-2799
DSSTox_RID_77832
MFCD00007710
ZINC00157525
AI3-01022
Benzoic acid, amino-, methyl ester
DB-042220
KB-228184
RTR-033354
ST45255311
TR-033354
AKOS000119222
Epa Pesticide Chemical Code 128725
I01-6584
W-108288
BRN 0606965
FEMA No. 2682
FT-0622414
Methyl anthranilate, natural, >=99%, FG
Methyl anthranilate, >=98%, FCC, FG
OTAVA-BB 1867348
Tox21_201657
Tox21_300347
134-20-3
F2141-0131
Benzoic acid, 2-amino-, methyl ester
Methyl 2-aminobenzoate, ReagentPlus(R), >=99%
MCULE-3500477192
NCGC00091409-01
NCGC00091409-02
NCGC00091409-03
NCGC00254347-01
NCGC00259206-01
CAS-134-20-3
EINECS 205-132-4
143202-08-8
Methyl 2-aminobenzoate, Vetec(TM) reagent grade, 98%
MolPort-000-004-891
Methyl anthranilate, natural (US), >=99%, FG
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
Molweight151.165
LogP1.8
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Amines Esters nitrogen compounds

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a