Cas no 16429-21-3 (2-Oxepanone, 7-hexyl-)
2-Oxepanone, 7-hexyl- structure
Product Name:2-Oxepanone, 7-hexyl-
CAS No:16429-21-3
MF:C12H22O2
MW:198.301884174347
CID:158161
Update Time:2025-04-19
2-Oxepanone, 7-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxepanone, 7-hexyl-
- 7-hexyloxepan-2-one
- 2-Oxepanone,7-hexyl
- 6-dodecanolide
- 6-Hexylhexanolide
- 7-(R,S)-hexyloxepan-2-one
- 7-Hexyl-2-oxepanone
- 7-hexylcaprolactone
- DELTA-DODECANOLACTONE
- EINECS 240-483-7
- FEMA No. 3610
- 7-hexyl-2-oxepanon
- 6-hydroxy-dodecanoic acid epsilon-lactone
- epsilon-dodecalactone
- epsilon-hydroxydodecanoic acid lactone
- FEMA 2401
- DODECANOLACTONE
- D-DODECALACTONE
- DELTA-LAUROLACTONE
- DODECALACTONE, DELTA-
-
- Inchi： 1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3
- InChI Key： FRTMRFCNTDDSOB-UHFFFAOYSA-N
- SMILES： C1(CCCCCC)CCCCC(=O)O1
Computed Properties
- Exact Mass: 198.16200
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
Experimental Properties
- Color/Form: Not determined
- Density: 0.942?g/mL?at 25?°C(lit.)
- Melting Point: ?12?°C(lit.)
- Boiling Point: 140-141?°C1?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.460(lit.)
- PSA: 26.30000
- LogP: 3.44260
- FEMA: 3610 | EPSILON-DODECALACTONE
- Solubility: Not determined
2-Oxepanone, 7-hexyl- Security Information
- WGK Germany：2
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S37/39
- RTECS：UQ0850000
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
2-Oxepanone, 7-hexyl- Customs Data
- HS CODE：2932209090
- Customs Data：
China Customs Code:
2932209090Overview:
2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Oxepanone, 7-hexyl- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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