Basic information
- CAS
62346-96-7- Standard SMILES
CC(=O)OCc1ccc(C)cc1C- InChIKey
IRJIWPLWQGRUAY-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Overview
structure in first source
Names & identifiers
- Preferred name
- Benzenemethanol, 2,4-dimethyl-, 1-acetate
- IUPAC
- (2,4-dimethylphenyl)methyl acetate
- English name
- 2,4-dimethylbenzyl acetate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2,4-Dimethylbenzyl acetate62346-96-72,4-Dimethylbenzenemethanol acetateBenzyl alcohol, 2,4-dimethyl-, acetateBenzenemethanol, 2,4-dimethyl-, 1-acetateNSC-78658VXC85SXW68DTXSID8052302RefChem:82529DTXCID5030874263-518-8(2,4-dimethylphenyl)methyl acetate
Show more names
NSC 78658TUFUROLACETAT, IFF2,4-DimethylbenzylacetatAcetic acid 2,4-dimethylbenzyl ester
Benzenemethanol, 2,4-dimethyl-, acetateTufurol acetateEINECS 263-518-8BRN 2503845AI3-21160NCIOpen2_0008712,4-dimethyl benzyl acetate4-06-00-03250 (Beilstein Handbook Reference)
Database identifiers
- CAS
62346-96-7- PubChem CID
- 94602
- DTXSID
DTXSID8052302- UNII
- VXC85SXW68
- EC Number
- 263-518-8
- Nikkaji
- J71.668E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,4-Dimethylbenzyl acetate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 65 · 65-72℃ (0.1 Torr)
- Density
- 1.0292 · 1.0292 (rough estimate)
- refractive index
- 1.504 · 1.5040 (589.3 nm 25℃)
- solubility
- Almost insoluble in water, soluble in alcohol and oils
- color
- Colorless liquid
- Odor
- Powerful, sweet-floral, rather fresh and somewhat fruit odor of moderate tenacity.
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.992 · 2.992 (est)
- FDA UNII
- 85 SXW68 · VXC85SXW68
- EPA Substance Registry System
- 2 · Benzenemethanol, 2,4-dimethyl-, acetate (62346-96-7)
- Symbol(GHS)
- 7 · GHS07
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 60.7% (54 of 89) of all reports.
Warning
H315 (39.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzenemethanol, 2,4-dimethyl-, acetate
Other Safety InformationIMAP assessments - Benzenemethanol, 2,4-dimethyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (39.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenemethanol, 2,4-dimethyl-, 1-acetate: ACTIVE
Applications
Uses2,4-dimethylbenzyl acetate has been suggested for use in perfume compositions, mainly as a modifier for Benzyl acetate in Jasmin bases, where better tenacity is desirable. Also in general as a floral-fruity body for partial substitution of Benzyl acetate, or as a modifier for the so-called Tolyl acetate (Methyl benzyl acetate).
Suppliers10 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-88380327 17691182729 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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