Basic information
- CAS
101-49-5- Standard SMILES
c1ccc(CC2OCCO2)cc1- InChIKey
SSZACLYPEFCREM-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-Benzyl-1,3-dioxolane
- IUPAC
- 2-benzyl-1,3-dioxolane
- English name
- 2-BENZYL-1,3-DIOXOLANE
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-Benzyl-1,3-dioxolane101-49-51,3-Dioxolane, 2-(phenylmethyl)-NSC-25480DTXSID10592307965TJC6L6RefChem:1062384DTXCID5032579202-946-12-BenzyldioxolanPhenylacetaldehyde ethylene acetalPhenylacetaldehyde glycol acetal
Show more names
2-benzyl-BenzyldioxolaneRARECHEM AL BP 01402-benzyl-3-dioxolane2-Benzyl-1,3-dioxolan2-BENZYL-1,3-DIOXOLONE
1,3-DIOXOLANE, 2-BENZYL-MFCD00003215Phenylacetaldehyde ethyleneglycol acetalPhenylacetaldehyde ethylene glycol acetalEINECS 202-946-1NSC 25480benzyldioxolanBRN 0117974
Database identifiers
- CAS
101-49-5- PubChem CID
- 7562
- DTXSID
DTXSID1059230- UNII
- 7965TJC6L6
- EC Number
- 202-946-1
- Nikkaji
- J76.235K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Phenylacetaldehyde ethylene glycol acetal) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 115 °C · 115 °C
- Density
- 1.085 · 1.085
- refractive index
- 20 · n20/D 1.522(lit.)
- Flash point
- 108 °C · 108 °C
- solubility
- Practically insoluble in water, soluble in alcohol and oils
- form
- Liquid
- color
- Clear colorless to pale yellow
- Odor
- Clean and mild, fresh-rosy, leafy odor
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 1.588 · 1.588 (est)
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 69% (89 of 129) of all reports.
Warning
H315 (31%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 129 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane, 2-(phenylmethyl)-
1,3-Dioxolane, 2-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3-Dioxolane, 2-(phenylmethyl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (31%)
Safety data
- tsca
- TSCA listed
- rtecs
- JH6768000
- hs_code
- 29329990
- Toxicity
- LD50 orl-rat: 2200 mg/kg FCTXAV 14,827,76
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,3-Dioxolane, 2-(phenylmethyl)-: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
Preparation methods
PreparationBy condensation of phenylacetaldehyde and ethylene glycol (Arctander, 1969).
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
广东百科试剂有限公司
Related reactions
4 records
Compound notes
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