Basic information
- CAS
5709-98-8- Standard SMILES
O=C(O)[C@H]1CC=CCC1- InChIKey
VUSWCWPCANWBFG-LURJTMIESA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- (R)-Cyclohex-3-enecarboxylic acid
- IUPAC
- (1R)-cyclohex-3-ene-1-carboxylic acid
- English name
- (R)-(+)-3-CYCLOHEXENECARBOXYLIC ACID
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
5709-98-8(R)-Cyclohex-3-enecarboxylic acid(1R)-3-Cyclohexene-1-carboxylic AcidDTXSID60353089RefChem:407393DTXCID60304152634-674-8(R)-3-CYCLOHEXENECARBOXYLIC ACID(1R)-cyclohex-3-ene-1-carboxylic acid(R)-3-Cyclohexene-1-carboxylic acidMFCD08275445(R)-(+)-3-CYCLOHEXENECARBOXYLIC ACID
Show more names
EOS-61457(R) -3-cyclohexenoic acid(R)-3-cyclohexene-1-carboxylic(R)-3-CyclohexenecarboxylicAci(R)-cyclohex-3-ene-1-carboxylicacid(R)-3-Cyclohexene-1β-carboxylic acid
(R)-(+)-3-Cyclohexene-1-carboxylic acid3-Cyclohexene-1-carboxylic acid, (1R)-(R)-Cyclohex-3-enecarboxylicacidSCHEMBL468428VUSWCWPCANWBFG-LURJTMIESA-N3-cyclohexene-1(R)-carboxylic acidAKOS016843451FC20702
Database identifiers
- CAS
5709-98-8- PubChem CID
- 736697
- DTXSID
DTXSID60353089- EC Number
- 634-674-8
- Nikkaji
- J36.762A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 90 °C · 90 °C(Press: 0.2 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform, Methanol
- form
- Oil
- pka
- 4.67 · 4.67±0.20(Predicted)
- color
- Colorless
- optical activity
- 127.898 ° · 127.898°(C=1g/100ml CHCL3)
- InChI
- InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m0/s1
- InChIKey
- VUSWCWPCANWBFG-LURJTMIESA-N
- SMILES
- [C@@H]1(C(O)=O)CCC=CC1
- CAS DataBase Reference
- 5709 · 5709-98-8
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 312 · H312-H314
- Precautionary statements
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20574
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- UN3265
- hs_code
- 2916200090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Hazard statements
- H312-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesAn intermediate of Leustroducsin B (LSN-B), a novel colony-stimulating factor (CSF) inducer, which was isolated from Streptomyces platensis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Related reactions
4 records
Compound notes
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