Basic information
- CAS
91-51-0- Standard SMILES
COC(=O)c1ccccc1N=CC(C)Cc1ccc(C(C)(C)C)cc1- InChIKey
RBAUBIIMPLZNGC-UHFFFAOYSA-N- Molecular formula
- C22H27NO2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.2041791
Names & identifiers
- Preferred name
- Verdantiol
- IUPAC
- methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate
- English name
- LILANATE 3275 P
- Molecular formula
- C22H27NO2
- Molecular weight
- 337.46
Names & synonyms
VerdantiolBenzoic acid, 2-((3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropylidene)amino)-, methyl esterButylphenyl methylpropional methyl anthranilatemethyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoateBenzoic acid, 2-[[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropylidene]amino]-, methyl ester3PWS757043Anthranilic acid, N-(3-(p-tert-butylphenyl)-2-methylpropylidene)-, methyl esterEINECS 202-073-6Lilial-methylanthranilate (Schiff Base)Lilial-methylanthranilate, Schiff's baseUNII-3PWS757043Methyl-N-(p-tert-butyl-alpha-methylhydrocinnamylidene) anthranilate
Show more names
LILANATE 3275 PLilial/MA schiffbaseLILIAL-METHYLANTHRANILATEMETHYL ANTHRANILATE/LILIALLILIAL-METHYLANTHRANILATE(SCHIFFBASE)lilial-methylanthranilate,schiff’sbaseSCHIFF'S BASE LILIAL-METHYL ANTHRANILATE
Lilyall / Methyl Anthranilate Schiff's Baseorb1701486SCHEMBL1401502SCHEMBL17629200SCHEMBL19924538SCHEMBL29743412SCHEMBL29788632RBAUBIIMPLZNGC-UHFFFAOYSA-N
Database identifiers
- CAS
91-51-0- PubChem CID
- 64807
- UNII
- 3PWS757043
- Nikkaji
- J60.461E
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 473.76 °C · 473.76°C (rough estimate)
- Density
- 1.0909 · 1.0909 (rough estimate)
- vapor pressure
- 0.001 Pa · 0.001Pa at 24℃
- refractive index
- 1.5614 · 1.5614 (estimate)
- solubility
- Insoluble in water, soluble in alcohol and oils, poorly soluble in Propylene glycol.
- form
- Intensely yellow, at times greenish-yellow, viscous liquid.
- Odor
- 50 % · at 50.00 % in dipropylene glycol. fresh green orangeflower lily citrus hydroxycitronellal
- Odor Type
- floral
- Water Solubility
- 960 μg/L · 960μg/L at 24℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.4 at · 4.4 at 25℃
- FDA UNII
- 3 PWS757043 · 3PWS757043
- EPA Substance Registry System
- 2 · Benzoic acid, 2-[[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropylidene]amino]-, methyl ester (91-51-0)
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H413-H361
- REACH Registrations
- Active
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesVerdantiol is used in perfume compositions as a modifier for “Aurantiol”, the most common Schiff’s base, and as a tenacious, floral note in the more delicate flower types, such as Sweet Pea, Lindenblossom, Frangipanni and in Neroli and Orangeblossom.
Suppliers11 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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