Basic information
- CAS
29895-73-6- Standard SMILES
OCC1COC(Cc2ccccc2)O1- InChIKey
ZPENOSKWEKGDCX-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Overview
2-Benzyl-5-hydroxymethyl-1,3-dioxolane is a member of benzenes.
Names & identifiers
- Preferred name
- 2-(Phenylmethyl)-1,3-dioxolane-4-methanol
- IUPAC
- (2-benzyl-1,3-dioxolan-4-yl)methanol
- English name
- 2-benzyl-1,3-dioxolan-4-ylmethanol
- Molecular formula
- C11H14O3
- Molecular weight
- 194.22706
Names & synonyms
5694-72-41,3-Dioxolane-4-methanol, 2-(phenylmethyl)-4-Hydroxymethyl-2-benzyl-1,3-dioxolane1,3-DIOXOLANE-4-METHANOL, 2-BENZYL-BD92587FZX2-(Phenylmethyl)-1,3-Dioxolane-4-methanolDTXSID201014563FEMA NO. 2877, 1,3-DIOXOLANE-RefChem:1061982DTXCID0030538227-164-8Phenylacetaldehyde glyceryl acetal
Show more names
1,2-hyacinth acetal2-benzyl-3-dioxolane-4-methanolPHENYLACETALDEHYDEGLYCEROLACETAL2-Benzyl-1,3-dioxolane-4-methanol1,3-DIOXOLANE-4-METHANOL,2-BENZYL-2-benzyl-4-hydroxymethyl-3-dioxolane2-(phenylmethyl)-3-dioxolane-4-methanol4-(Hydroxymethyl)-2-benzyl-1,3-dioxolane
(2-benzyl-1,3-dioxolan-4-yl)methanol29895-73-6FEMA 28772-Benzyl-1,3-dioxolan-4-ylmethanol2-Benzyl-4-hydroxymethyl-1,3-dioxolane2-Benzyl-4-methanol-1,3-dioxane2-Benzyl-4-hydroxymethyl-1,3-dioxaneFEMA No. 2877
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Phenylacetaldehyde glyceryl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.158-1.168
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point358 °C
Refractive Index1.524-1.536
Physical DescriptionColourless viscous liquid; very faint, sweet-green rosy odour
Physicochemical properties
- Boiling point
- 290.67 °C · 290.67°C (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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1839 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-
Chemical: Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Benzeneacetaldehyde, cyclic acetal with glycerol (EC: 249-934-2)
Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol: Does not have an individual approval but may be used under an appropriate group standard
1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Toxicity
- skn-rbt 500 mg/24H MOD FCTXAV 14,829,76
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Phenylacetaldehyde Glyceryl Cyclic Acetals in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-: ACTIVE
Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol: ACTIVE
Suppliers30 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]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
JINING XINHE CHEMICAL CO., LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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