Basic information
- CAS
72214-23-4- Standard SMILES
C=CC(C)=CCCC(C)(C)OC(C)=O- InChIKey
JAVBVYXSVDXAQK-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
See also: 5,7-Octadien-2-ol, 2,6-dimethyl-, 2-acetate (annotation moved to).
Names & identifiers
- Preferred name
- 2,6-Dimethylocta-5,7-dien-2-yl acetate
- IUPAC
- 2,6-dimethylocta-5,7-dien-2-yl acetate
- English name
- 1,1,5-trimethylhepta-4,6-dienyl acetate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
2,6-dimethylocta-5,7-dien-2-yl acetate5,7-Octadien-2-ol, 2,6-dimethyl-, acetateocimen-1-yl acetateSCHEMBL1551734DTXSID0052465JAVBVYXSVDXAQK-UHFFFAOYSA-NNS000130531,1,5-TRIMETHYL-4,6-HEPTADIENYL ACETATE7-acetoxy-3,7-dimethyl-octa-1,3-diene1,1,5-Trimethylhepta-4,6-dienylacetat2,6-Dimethyl-5,7-octadien-2-ol acetate1,1,5-trimethylhepta-4,6-dienyl acetate
Show more names
5,7-Octadien-2-ol, 2,6-dimethyl-, 2-acetateAcetic acid 1,1,5-trimethyl-4,6-heptadienyl ester
Database identifiers
- CAS
72214-23-4- PubChem CID
- 166257
- DTXSID
DTXSID0052465
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 220.3 · 220.3±9.0 °C(Predicted)
- Density
- 0.897 · 0.897±0.06 g/cm3(Predicted)
- FEMA
- 3886 · 3886 | 8-OCIMENYL ACETATE
- Odor
- 100 % · at 100.00 %. herbal citrus lavender cologne bergamot floral
- Odor Type
- fruity
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.685 · 3.685 (est)
- EPA Substance Registry System
- 5 · 5,7-Octadien-2-ol, 2,6-dimethyl-, acetate (72214-23-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [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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