Basic information
- CAS
24691-16-5- Standard SMILES
CC(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1- InChIKey
OIVWFAFCHQDCCG-WCBMZHEXSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Overview
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Names & identifiers
- Preferred name
- cis-3,3,5-Trimethylcyclohexyl acetate
- IUPAC
- [(1R,5R)-3,3,5-trimethylcyclohexyl] acetate
- English name
- Acetic acid cis-3,3,5-trimethylcyclohexyl ester
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
24691-16-5cis-3,3,5-Trimethylcyclohexyl acetate[(1R,5R)-3,3,5-trimethylcyclohexyl] acetateACETICACIDCIS-3,3,5-TRIMETHYLCYCLOHEXYLESTERAcetic Acid cis-3,3,5-Trimethylcyclohexyl EsterMFCD08276440cis-3,3,5-TrimethylcyclohexylAcetateSCHEMBL273539OIVWFAFCHQDCCG-WCBMZHEXSA-NNSC23486NSC-23486Cyclohexanol,3,5-trimethyl-, acetate, cis-
Show more names
Cyclohexanol, 3,3,5-trimethyl-, acetate, cis-cis-homomenthyl acetate3,3,5-trimethyl-,acetate,cis-cyclohexano(1S,5S)-3,3,5-trimethylcyclohexyl acetatecis-3,3,5-Trimethylcyclohexyl Acetate >cis-3,3,5-Trimethylcyclohexyl AcetateAcetic Acid cis-3,5,5-Trimethylhexyl Ester
D88396
Database identifiers
- CAS
24691-16-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 97 °C · 97 °C / 27mmHg
- Density
- 0.92 · 0.92
- refractive index
- 1.438 · 1.4380-1.4400
- Flash point
- 85 °C · 85 °C
- form
- clear liquid
- color
- Colorless to Light yellow
- EPA Substance Registry System
- 3 · Cyclohexanol, 3,3,5-trimethyl-, acetate, (1R,5R)-rel- (24691-16-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- TSCA
- TSCA listed
- HS Code
- 2916200090 · 2916200090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers21 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [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.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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