Basic information
- Standard SMILES
COC(=O)C1CCCCCCC1- InChIKey
RGWPTUUKSDBWRA-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Names & identifiers
- Preferred name
- Methyl cyclooctanecarboxylate
- IUPAC
- methyl cyclooctanecarboxylate
- English name
- methyl cyclooctanecarboxylate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Methyl cyclooctanecarboxylate3724-54-7Cyclooctanecarboxylic acid, methyl esterX54JIQ3JK3EINECS 223-075-3UNII-X54JIQ3JK3NSC 119520NSC-119520Methyl cyclooctyl carboxylateDTXSID6063149RefChem:157831DTXCID0039304
Show more names
223-075-3RGWPTUUKSDBWRA-UHFFFAOYSA-NCyclooctanecarboxylic acid methyl estermethylcyclooctanecarboxylateMFCD16036942Methyl-cyclooctan-carboxylatmethyl cyclooctane carboxylateCyclooctylcarbonsauremethylester
Database identifiers
- CAS
3724-54-7- PubChem CID
- 77313
- DTXSID
DTXSID6063149- UNII
- X54JIQ3JK3
- EC Number
- 223-075-3
- Nikkaji
- J79.847I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.302 · 3.302 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 54 JIQ3JK3 · X54JIQ3JK3
- EPA Substance Registry System
- Cyclooctanecarboxylic acid, methyl ester (3724-54-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Cyclooctanecarboxylic acid, methyl ester
Other Safety InformationIMAP assessments - Cyclooctanecarboxylic acid, methyl ester: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclooctanecarboxylic acid, methyl ester: INACTIVE
Suppliers4 total
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
2 records
Linked notes
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