Basic information
- CAS
4395-82-8- Standard SMILES
CC(=O)Oc1cc(C(C)C)ccc1C- InChIKey
OXZSUQJHKQOGOK-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Overview
5-Isopropyl-2-methylphenol acetate is a monoterpenoid.
Names & identifiers
- Preferred name
- Carvacryl acetate
- IUPAC
- (2-methyl-5-propan-2-ylphenyl) acetate
- English name
- CARVACRYL ACETATE
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
Carvacryl acetate6380-28-55-Isopropyl-o-tolyl acetate(2-methyl-5-propan-2-ylphenyl) acetatePhenol, 2-methyl-5-(1-methylethyl)-, acetate2A2BR75B36NSC-6601DTXSID40863777RefChem:574743DTXCID90812356228-963-4Carvacrol acetate
Show more names
Nsc6601CARVACRYL ACETATE(RG)Phenol, 2-methyl-5-(1-methylethyl)-, 1-acetate
5-Isopropyl-2-methylphenol acetate2-methyl-5-(propan-2-yl)phenyl acetateMFCD002704284395-82-8UNII-2A2BR75B36acetic acid 5-isopropyl-2-methyl-phenyl ester5-Isopropyl-2-methylphenyl acetateEINECS 228-963-4
Database identifiers
- CAS
4395-82-8、6380-28-5- PubChem CID
- 80792
- DTXSID
DTXSID40863777- ChEMBL
CHEMBL5592566- ChEBI
CHEBI:179898- UNII
- 2A2BR75B36
- EC Number
- 228-963-4
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Flavoring AgentsEU Flavoring substances
Boiling Point246.50 °C. @ 760.00 mm Hg
Melting Point29.00 to 30.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- 29 · 29~30℃
- Boiling point
- 246.5 °C · 246.5°C (estimate)
- Density
- 0.9896 · 0.9896
- refractive index
- 1.4913 · 1.4913 (estimate)
- FLAVIS Number
- 9.337 · 09.337 | Carvacryl acetate
- LogP
- 3.469 · 3.469 (est)
- FDA UNII
- 2 A2BR75B36 · 2A2BR75B36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Phenol, 2-methyl-5-(1-methylethyl)-, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2-methyl-5-(1-methylethyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesCarvacryl acetate is occasionally used in perfume compositions for Fougere, Carnation, Clover, Sweet Williams, etc. as a modifier for other spicy notes. It seems to take the rough chemical character out of iso-Butyl- or Amyl salicylate in such compositions.
Preparation methods
PreparationCarvacryl acetate is prepared by acetylation of Carvacrol with Acetic anhydride.
Suppliers37 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
常州布克化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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