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Methyl 2-{[3-(2H-1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate

HCID 4100752
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
111753-60-7
Standard SMILES
COC(=O)c1ccccc1N=CC(C)Cc1ccc2c(c1)OCO2
InChIKey
FMKWHJXRMHLTPO-UHFFFAOYSA-N
Molecular formula
C19H19NO4
Average molar mass
325.364 g/mol
Monoisotopic mass
325.13140809

Names & identifiers

Preferred name
Methyl 2-{[3-(2H-1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate
IUPAC
Methyl 2-{[3-(2H-1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate
English name
HELIOFORTE
Molecular formula
C19H19NO4
Molecular weight
325.36

Names & synonyms

HELIOFORTEHelional-methyl anthranilate schiff's baseocean propanal / methyl anthranilate schiff's basemethyl 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate2-(3-BENZO(1,3)DIOXOL-5-YL-2-METHYL-PROPYLIDENEAMINO)-BENZOIC ACID METHYL ESTERBenzoic acid, 2-((3-(1,3-benzodioxol-5-yl)-2-methylpropylidene)amino)-, methyl esterBenzoic acid, 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-,methyl ester (E/Z)

Database identifiers

CAS
111753-60-7
PubChem CID
4100752
DTXSID
DTXSID60869413
UNII
9D297714YE
EC Number
601-113-3
Nikkaji
J2.191.527K

Properties

Physicochemical properties

Boiling point
491.8 · 491.8±45.0 °C(Predicted)
Density
1.19 · 1.19±0.1 g/cm3(Predicted)
pka
3.86 · 3.86±0.50(Predicted)
Odor
50 % · at 50.00 % in dipropylene glycol. fresh green floral orangeblossom ozone leafy cortex
Odor Type
floral
LogP
5.2 · 5.200 (est)
EWG's Food Scores
1 · 1
FDA UNII
9 D297714YE · 9D297714YE
Symbol(GHS)
7 · GHS07,GHS09
Signal word
Warning
Hazard statements
411 · H411-H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P
REACH Registrations
Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07,GHS09
Hazard statements
H411-H319
REACH Registrations
Active
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers3 total

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

Related reactions

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Compound notes

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