Basic information
- CAS
1193-11-9- Standard SMILES
CC1COC(C)(C)O1- InChIKey
ALTFLAPROMVXNX-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Overview
2,2,4-Trimethyl-1,3-dioxolane is a ketal.
Names & identifiers
- Preferred name
- 2,2,4-Trimethyl-1,3-dioxolane
- IUPAC
- 2,2,4-trimethyl-1,3-dioxolane
- English name
- 2,2,4-Trimethyl-1,3-dioxolane
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
2,2,4-Trimethyl-1,3-dioxolane1193-11-91,3-DIOXOLANE, 2,2,4-TRIMETHYL-Propylene glycol acetone ketalAcetone propylene glycol acetalUNII-Z0H09N14ARFEMA No. 34412,2,4-Trimethyl-1,3-dioxacyclopentane2,2,4-TrimethyldioxolaneNSC-875452,2,4-Trimethyl-1,3-oxacyclopentaneZ0H09N14AR
Show more names
FEMA 34412,2,4-TRIMETHYL-1,3-OXYCYCLOPENTANE
DTXSID10862590EINECS 214-766-0NSC 875452,2,4-TRIMETHYL-1,3-OXACYCLOPENTANE [FHFI]RefChem:80872DTXCID60811331(+-)-2,2,4-TRIMETHYL-1,3-DIOXOLANE2,2,4-TRIMETHYL-1,3-DIOXOLANE, (+-)-
Database identifiers
- CAS
1193-11-9- PubChem CID
- 62384
- DTXSID
DTXSID10862590- ChEBI
CHEBI:173426- UNII
- Z0H09N14AR
- EC Number
- 214-766-0
- Nikkaji
- J121.006H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.5
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.899-0.905
Flavoring AgentsEU Flavoring substances
Solubility
111000 mg/L @ 18C (exp)
soluble in water; organic solvents, oils
miscible (in ethanol)
Boiling Point
98.00 to 99.00 °C. @ 760.00 mm Hg
98-99 °C
Refractive Index1.393-1.398
Physical Descriptioncolourless liquid with a mild, musty, sweet odour
Physicochemical properties
- Boiling point
- 98 °C · 98°C
- Density
- 0.897 · 0.897
- FLAVIS Number
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 66.9% (91 of 136) of all reports.
Danger
H226 (33.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 136 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane, 2,2,4-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,3-Dioxolane, 2,2,4-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (33.1%)
Safety data
- ridadr
- 1993
- hs_code
- 29329990
- risk_code
- 11-20/21/22-36/37/38-10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-36/37/39-60-37-26-23
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
OccurrenceReported found in tomato, lingonberry, cowberry (Vacinium vitis idaea L.) and tomato.
Preparation methods
PreparationFrom acetone and propylene glycol.
Suppliers57 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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