Basic information
- CAS
528-79-0- Standard SMILES
CC(=O)Oc1cc(C)ccc1C(C)C- InChIKey
WFMIUXMJJBBOGJ-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Overview
Thymyl acetate is a monoterpenoid.
Names & identifiers
- Preferred name
- Thymol acetate
- IUPAC
- (5-methyl-2-propan-2-ylphenyl) acetate
- English name
- thymol acetate
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
Thymol acetateThymyl acetate528-79-0AcetylthymolO-AcetylthymolAcetyl thymolPhenol, 5-methyl-2-(1-methylethyl)-, acetateEINECS 208-442-86I29126I5VNSC 406522NSC-406522Phenol, 5-methyl-2-(1-methylethyl)-, 1-acetate
Show more names
2-isopropyl-5-methylphenyl acetate2-Isopropyl-5-methylphenol acetate2-Acetoxy-1-isopropyl-4-methylbenzene(5-methyl-2-propan-2-ylphenyl) acetate(5-methyl-2-propan-2-yl-phenyl) ethanoate
THYMOL ACETATE [MI]AI3-03427DTXSID40862124(2-isopropyl-5-methyl-phenyl) acetateRefChem:898087DTXCID50810934208-442-8Thymol, acetate
Database identifiers
- CAS
528-79-0- PubChem CID
- 68252
- DTXSID
DTXSID40862124- ChEMBL
CHEMBL3343661- ChEBI
CHEBI:9583- UNII
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
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 122.2 · 122.2-125.0 °C
- Boiling point
- 243.5 · bp 243.5-245.5°
- Density
- 0 · d0 1.009
- FLAVIS Number
- 9.253 · 09.253 | 2-Isopropyl-5-methylphenyl acetate
- refractive index
- 1.4913 · 1.4913 (estimate)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.031 · 3.031 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 I29126I5V · 6I29126I5V
- EPA Substance Registry System
- 5 · Phenol, 5-methyl-2-(1-methylethyl)-, acetate (528-79-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phenol, 5-methyl-2-(1-methylethyl)-, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 5-methyl-2-(1-methylethyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 5-methyl-2-(1-methylethyl)-, acetate: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 5-methyl-2-(1-methylethyl)-, 1-acetate: INACTIVE
Suppliers13 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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