Basic information
- CAS
56011-02-0- Standard SMILES
CC(C)CCOCCc1ccccc1- InChIKey
BHQBQWOZHYUVTL-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- Isoamyl phenethyl ether
- IUPAC
- 2-(3-methylbutoxy)ethylbenzene
- English name
- ANTHER
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
Isopentyl phenethyl ethergreen etherIsoamyl phenylethyl etherIsoamyl phenethyl etherPhenylethyl isoamyl ether2-Phenylethyl isopentyl ether(2-(3-Methylbutoxy)ethyl)benzene[2-(3-METHYLBUTOXY)ETHYL]BENZENEBenzene, (2-(3-methylbutoxy)ethyl)-EINECS 259-943-3BRN 2250579X768037VTG
Show more names
ANTHERCarcase etherParsley etherAnther 5846393ANTHER USP/EP/BPPhenethyl isoamylate
ANTHER (ETHER)2-phenylethyl isoamyl etherFEMA NO. 4635Benzene, [2-(3-methylbutoxy)ethyl]-RefChem:7915573-methyl butyl oxyethyl benzene(2-(3-methylbutoxy)ethyl) benzeneBenzene, 2-(3-methylbutoxy)ethyl-
Database identifiers
- CAS
56011-02-0- PubChem CID
- 91978
- DTXSID
DTXSID3052220- UNII
- X768037VTG
- EC Number
- 259-943-3
- Nikkaji
- J182.742A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Phenylethyl isoamyl ether) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.897-0.913 (20 °C)
Solubility
Soluble in water
Soluble (in ethanol)
Boiling Point
109.00 to 110.00 °C. @ 8.00 mm Hg
109-110º (8 mm Hg)
Refractive Index1.477-1.485
Physical DescriptionColourless clear liquid; fresh green hyacinth-like aroma
Physicochemical properties
- Boiling point
- 257 °C · 257°C (estimate)
- Density
- 0.9275 · 0.9275 (rough estimate)
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 17.2% (278 of 1617) of reports.
H411 (82.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1617 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, [2-(3-methylbutoxy)ethyl]-
REACH registered substance: Isopentyl phenethyl ether (EC: 259-943-3)
Benzene, 2-(3-methylbutoxy)ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (82.8%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Active
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Isoamyl Phenethyl Ether in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzene, [2-(3-methylbutoxy)ethyl]-: ACTIVE
Applications
UsesSuggested for use in floral fragrance types: Stable in soap and other mild alkali, very stable on storage under normal conditions.
Upstream & downstream products
Upstream raw materials
Suppliers38 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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