Basic information
- CAS
14576-08-0- Standard SMILES
COC(C)(C)C1CC=C(C)CC1- InChIKey
YWJHQHJWHJRTAB-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Overview
4-(2-Methoxypropan-2-yl)-1-methylcyclohex-1-ene is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Methyl alpha-terpinyl ether
- IUPAC
- 4-(2-methoxypropan-2-yl)-1-methylcyclohexene
- English name
- ORANGE FLOWER ETHER
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
14576-08-0Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl-Terpinyl methyl ether4-(1-Methoxy-1-methylethyl)-1-methylcyclohexene4-(2-methoxypropan-2-yl)-1-methylcyclohexeneMethyl alpha-terpinyl ether4-(2-methoxypropan-2-yl)-1-methylcyclohex-1-ene8-Methoxy-p-menth-1-enealpha-Terpineol, methyl etheralpha-Terpinyl methyl etherJ85U4SDI1IMETHYL(P-MENTHA-1-ENE-8-YL) ETHER
Show more names
ORANGE FLOWER ETHERTERPINYL METHYL EHTERALPHA-TERPENYLMETHYLETHER.alpha.-Terpineol,methylether
EINECS 238-620-0NSC 52566NSC-52566ETHER, P-MENTH-1-EN-8-YL METHYLAI3-32544J138.274HDTXSID9041819.ALPHA.-TERPINYL METHYL ETHER
Database identifiers
- CAS
14576-08-0- PubChem CID
- 85755
- DTXSID
DTXSID9041819
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 179
Experimental & physicochemical properties
FragrancesFragrance Ingredient (4-(1-Methoxy-1-methylethyl)-1-methylcyclohexene) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionCBI
Physicochemical properties
- Boiling point
- 106 · 106-107.5 °C(Press: 20 Torr)
- Density
- 0.8978 g/cm3 · 0.8978 g/cm3(Temp: 25 °C)
- vapor pressure
- 9.91 Pa · 9.91Pa at 23℃
- FLAVIS Number
- 3.02 · 03.020 | alpha-Terpinyl methyl ether
- Odor
- 100 % · at 100.00 %. citrus grapefruit bergamot orangeflower vegetable celery spicy earthy
- Odor Type
- citrus
- Water Solubility
- 85 mg/L · 85mg/L at 23℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.5 at · 4.5 at 25℃
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 93.8% (258 of 275) of all reports.
Not Classified
Aggregated GHS information provided per 275 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 4-(1-methoxy-1-methylethyl)-1-methylcyclohexene (EC: 238-620-0)
4-(1-methoxy-1-methylethyl)-1-methylcyclohexene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 4 consumer products that contain Methoxy-Isopropyl-Methylcyclohexene in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl-: ACTIVE
Suppliers12 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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