Basic information
- CAS
5331-14-6- Standard SMILES
CCCCOCCc1ccccc1- InChIKey
KLJOZKBZXLRMLU-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Butyl phenethyl ether
- IUPAC
- 2-butoxyethylbenzene
- English name
- CRESSANTHER
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
(2-Butoxyethyl)benzene5331-14-6Benzene, (2-butoxyethyl)-Butyl phenethyl etherULS8QVB0DOPhenylethyl n-butyl etherNSC 2252NSC-2252EINECS 226-226-1AI3-19956DTXSID5063784RefChem:571776
Show more names
CRESSANTHERPhenethylbutyl etherButylphenethyl etherCognac oil,artificial(2-butoxyethyl)-benzen(2-butoxyethyl)-Benzene
DTXCID1041396226-226-12-butoxyethylbenzenephenethyl butyl etherUNII-ULS8QVB0DOSCHEMBL144042SCHEMBL4918943SCHEMBL4984624
Database identifiers
- CAS
5331-14-6- PubChem CID
- 79240
- DTXSID
DTXSID5063784- UNII
- ULS8QVB0DO
- EC Number
- 226-226-1
- Nikkaji
- J298.011H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
FragrancesFragrance Ingredient ((2-Butoxyethyl)benzene) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 112 · 112.0-113.0 °C(Press: 13 Torr)
- Density
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. watercress mushroom gardenia green metallic
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.656 · 3.656 (est)
- FDA UNII
- 8 QVB0DO · ULS8QVB0DO
- EPA Substance Registry System
- Benzene, (2-butoxyethyl)- (5331-14-6)
- 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% (1376 of 1376) of all reports.
Not Classified
Aggregated GHS information provided per 1376 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, (2-butoxyethyl)-
Benzene, (2-butoxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzene, (2-butoxyethyl)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, (2-butoxyethyl)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers11 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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