Basic information
- CAS
6379-73-3- Standard SMILES
COc1cc(C(C)C)ccc1C- InChIKey
YVLHTQPPMZOCOW-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Overview
carvacrol methyl ether has been reported in Cyathocline purpurea, Crithmum maritimum, and other organisms with data available.
Names & identifiers
- Preferred name
- Carvacryl methyl ether
- IUPAC
- 2-methoxy-1-methyl-4-propan-2-ylbenzene
- English name
- Carvacrol methyl ether
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
Carvacrol methyl ether6379-73-3methylcarvacrolCarvacryl methyl ether5-Isopropyl-2-methylanisoleMethyl carvacryl etherMethyl carvacrolEther, carvacryl methylp-Cymene, 2-methoxy-O-methylcarvacrolAnisole, 5-isopropyl-2-methyl-p-Cymene-2-ol methyl ether
Show more names
2-Methoxy-p-cymeneCarvacrol Me etherp-Cymene-2-olmethyletherIsothymol methyl etherCarvacrol methyl ether-RM
Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-2-Methoxy-4-(1-methylethyl)tolueneDTXSID00474002-methoxy-p-cymolVG90I876VIEINECS 228-959-2NSC 406512NSC-406512
Database identifiers
- CAS
6379-73-3- PubChem CID
- 80790
- DTXSID
DTXSID0047400- ChEMBL
CHEMBL464709- UNII
- VG90I876VI
- EC Number
- 228-959-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
FragrancesFragrance Ingredient (4-Isopropyl-2-methoxy-1-methylbenzene) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 217 °C · 217 °C
- Density
- 0.936 g/mL · 0.936 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.505
- FLAVIS Number
- 4.059 · 04.059 | Carvacryl methyl ether
- Flash point
- 75 °C · 75 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Colorless to light yellow
- Odor
- 100 % · at 100.00 %. herbal spicy leafy citrus
- Odor Type
- herbal
- BRN
- 2412706 · 2412706
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 75.2% (124 of 165) of all reports.
Warning
H302 (24.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment
Hazard Classes and CategoriesAcute Tox. 4 (24.2%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, 2-methoxy-1-methyl-4-(1-methylethyl)-: ACTIVE
Applications
UsesCarvacryl Methylether can be used to treat soft and solid tumors and proliferative diseases.
Suppliers57 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…