Basic information
- CAS
13846-31-6- Standard SMILES
C=CCOC(=O)C1CCCCC1C(=O)OCC=C- InChIKey
HEBKPAWCVUSXMB-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- 1,2-Cyclohexanedicarboxylic acid, 1,2-di-2-propen-1-yl ester
- IUPAC
- bis(prop-2-enyl) cyclohexane-1,2-dicarboxylate
- English name
- diallyl hexahydrophthalate
- Molecular formula
- C14H20O4
- Molecular weight
- 252.3062
Names & synonyms
Diallyl hexahydrophthalate1,2-Cyclohexanedicarboxylic acid, di-2-propenyl esterEINECS 237-580-11,2-Cyclohexanedicarboxylic acid, 1,2-di-2-propen-1-yl esterRefChem:411448237-580-113846-31-67500-82-5bis(prop-2-enyl) cyclohexane-1,2-dicarboxylateNSC 4080211,2-Cyclohexanedicarboxylic acid, di-2-propenyl ester, trans-diallyl cyclohexane-1,2-dicarboxylate
Show more names
Hexahydrophthalic acid diallyl ester1,2-Cyclohexanedicarboxylic acid di-2-propenyl ester1,2-Cyclohexanedicarboxylic acid bis(2-propenyl) ester
Cyclohexane-1,2-dicarboxylic acid, diallyl ester, (E)-SCHEMBL987648DTXSID10930122HEBKPAWCVUSXMB-UHFFFAOYSA-N1, di-2-propenyl ester, trans-WLN: L6TJ AVO1U2 BVO1U2NSC408021Cyclohexane-1, diallyl ester, (E)-
Database identifiers
- CAS
13846-31-6、7500-82-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 130 ℃[at · 130℃[at 101 325 Pa]
- Density
- 1.06 · 1.06[at 20℃]
- vapor pressure
- 0.02 Pa · 0.02Pa at 25℃
- Water Solubility
- 110 mg/L · 110mg/L at 20℃
- LogP
- 3.54 · 3.54
- EPA Substance Registry System
- 1 · 1,2-Cyclohexanedicarboxylic acid, di-2-propenyl ester (13846-31-6)
- Signal word
- Warning
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
REACH registered substance: Diallyl hexahydrophthalate (EC: 237-580-1)
1,2-Cyclohexanedicarboxylic acid, 1,2-di-2-propen-1-yl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Cyclohexanedicarboxylic acid, 1,2-di-2-propen-1-yl ester: ACTIVE
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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