Basic information
- CAS
10402-52-5- Standard SMILES
CC(=O)OCC(C)c1ccccc1- InChIKey
RVPTTWAAIKMYAH-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Overview
2-Phenylpropyl acetate is a member of benzenes.
Names & identifiers
- Preferred name
- Benzeneethanol, beta-methyl-, 1-acetate
- IUPAC
- 2-phenylpropyl acetate
- English name
- 2-Phenylpropyl acetate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2-Phenylpropyl acetate10402-52-5Benzeneethanol, beta-methyl-, acetateBenzeneethanol, beta-methyl-, 1-acetateDTXSID40864264RefChem:89102DTXCID60812803233-871-2Hydratropic acetateHydratropyl acetateBenzeneethanol, .beta.-methyl-, acetatebeta-Methylphenylethyl acetate
Show more names
2-phenylpropyl2-Phenylpropylacetat2-PHENYL PROPYL ACETATE2-Phenyl-1-Propyl Acetate2-Phenyl-1-propanol acetatebeta-methylphenylethylacetateAcetic acid 2-phenylpropyl ester
EINECS 233-871-2NSC 190972AI3-355772-phenylpropylacetatePhenethyl alcohol, .beta.-methyl-, acetatebeta-Methylphenethyl acetatePHENETHYL ALCOHOL, beta-METHYL-, ACETATE.beta.-Phenylpropyl acetate
Database identifiers
- CAS
10402-52-5- PubChem CID
- 25239
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 270.46 °C · 270.46°C (rough estimate)
- Density
- 1.0292 · 1.0292 (rough estimate)
- refractive index
- 1.5103 · 1.5103 (estimate)
- color
- A colourless liquid.
- Odor
- 100 % · at 100.00 %. sweet hyacinth lilac green earthy
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.652 · 2.652 (est)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- Benzeneethanol, «beta»-methyl-, acetate(10402-52-5)
- EPA Substance Registry System
- Benzeneethanol, .beta.-methyl-, acetate (10402-52-5)
- TSCA
- TSCA listed
- Toxicity
- 50 value · The acute oral LD50 value in rats was reported as 4.3g/kg (3.46-5.14 g/kg) and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).
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% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneethanol, .beta.-methyl-, acetate
Benzeneethanol, .beta.-methyl-, acetate: 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
- Toxicity
- The acute oral LD50 value in rats was reported as 4.3g/kg (3.46-5.14 g/kg) and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, .beta.-methyl-, 1-acetate: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
Preparation methods
PreparationBy direct esterification of hydratropyl alcohol with acetic acid under azeotropic conditions, or with acetic anhydride (Arctander, 1969).
Suppliers11 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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