Basic information
- CAS
2173-82-2- Standard SMILES
CCCC(=O)OCC=C(C)CCC=C(C)C- InChIKey
ZSBOMYJPSRFZAL-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Overview
3,7-Dimethylocta-2,6-dien-1-yl butanoate has been reported in Thymus camphoratus, Cymbopogon citratus, and Mangifera indica with data available.
Names & identifiers
- Preferred name
- 3,7-Dimethyl-2,6-octadienyl Butyrate
- IUPAC
- 3,7-dimethylocta-2,6-dienyl butanoate
- English name
- 3,7-Dimethyl-2,6-octadienyl Butyrate
- Molecular formula
- C14H24O2
- Molecular weight
- 224.34
Names & synonyms
3,7-Dimethyl-2,6-octadienyl Butyrate3,7-dimethylocta-2,6-dienyl butanoateRefChem:487707808-093-72173-82-23,7-dimethylocta-2,6-dien-1-yl butanoateNCIOpen2_003399DTXSID7047225AKOS030228128Geranyl butyrate Pure(2Z)-3,7-dimethyl-2,6-octadien-1-yl butyrateSCHEMBL118466
Show more names
3,7-Dimethyl-2,6-octadienylButyrate>3,7-Dimethyl-2,6-octadien-1-yl butanoateButanoic acid, 3,7-dimethyl-2,6-octadien-1-yl ester
SY113554DB-059463
Database identifiers
- CAS
2173-82-2- PubChem CID
- 7796
- DTXSID
DTXSID7047225- EC Number
- 808-093-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- refractive index
- 1.458 to · 1.4580 to 1.4630
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2915.6 · 2915.60.5000
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2915.60.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses3,7-Dimethyl-2,6-octadienyl Butyrate is a useful intermediate in the terpene ester synthesis via lipase-catalyzed transesterification.
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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