(6Z)-8-methylnon-6-enoic acid
Basic information
- CAS
21382-25-2- Standard SMILES
CC(C)/C=C\CCCCC(=O)O- InChIKey
OCALSPDXYQHUHA-ALCCZGGFSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- (6Z)-8-methylnon-6-enoic acid
- IUPAC
- (Z)-8-methylnon-6-enoic acid
- English name
- CIS 8-METHYLNON-6-ENOIC ACID
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
31467-60-4(6Z)-8-methylnon-6-enoic acidRefChem:405270631-138-5(Z)-8-methylnon-6-enoic acid21382-25-2(CIS)-8-Methylnon-6-enoic acidMFCD00203854(6Z)-8-Methyl-6-nonenoic Acid (up to 10per cent trans isomer)(6Z)-8-Methyl-6-nonenoic Acid (up to 10% trans isomer)8-Methyl-6-nonenoic acid, 97%(6Z)-8-methyl-6-nonenoic acid
Show more names
ZK-B(6Z)-8-Methyl-6-Nonenoic acid, 8-methyl-, (6Z)-
(Z)-8-Methyl-6-Nonenoic Acid(Z)-8-Methylnon-6-enoicacidSCHEMBL3338606DTXSID30420772(Z)-8-methyl-non-6-enoic acidSBB088441AKOS006230017MG-0051
Database identifiers
- CAS
21382-25-2、31467-60-4- PubChem CID
- 5709062
- DTXSID
DTXSID30420772- EC Number
- 631-138-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 107 · 107-109 °C(Press: 3.5 Torr)
- Density
- 0.934 · 0.934±0.06 g/cm3(Predicted)
- solubility
- soluble in Dichloromethane, Diethyl Ether, DMSO, Methanol
- form
- Oil
- pka
- 4.75 · 4.75±0.10(Predicted)
- color
- Light Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesCIS 8-METHYLNON-6-ENOIC ACID is used in the synthesis of Capsaicin analogues, useful for their anti-tumor activity.
Suppliers
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Related reactions
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Compound notes
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