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Basic information
- CAS
18294-87-6- Standard SMILES
O=C(O)CC1=CCCCC1- InChIKey
KDFBPHXESBPHTK-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 1-Cyclohexene-1-acetic acid
- IUPAC
- 2-(cyclohexen-1-yl)acetic acid
- English name
- 1-Cyclohexenylacetic acid
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
1-Cyclohexenylacetic acid18294-87-61-Cyclohexene-1-acetic acidAI3-28150EINECS 242-172-1NSC 14103DTXSID7066356RefChem:75480DTXCID0035821KDFBPHXESBPHTK-UHFFFAOYSA-N2-(cyclohex-1-en-1-yl)acetic acid2-(cyclohexen-1-yl)acetic acid
Show more names
NSC141031-CyclohexenylTIMTEC-BB SBB008386RARECHEM AL BO 00071-Cyclohexen-1-ylacetic acidN'-propan-2-ylmethanediimine
Cyclohex-1-enylacetic acidMFCD00015482NSC-141032-cyclohex-1-enylacetic acid1-Cyclohexene-1-aceticacid1-Cyclohexenylaceticacidcyclohexenylacetic acidZ4TQJ9EW4S
Database identifiers
- CAS
18294-87-6- PubChem CID
- 86699
- DTXSID
DTXSID7066356- UNII
- Z4TQJ9EW4S
- EC Number
- 242-172-1
- Nikkaji
- J82.729K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 33 °C · 33°C
- Boiling point
- 140 · 140-142°C/25mm
- Density
- 1.04 · 1.04
- refractive index
- 1.4775 · 1.4775
- Flash point
- 140 · 140-142°C/25mm
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 5 · 5.00±0.10(Predicted)
- form
- Liquid/Low Melting Solid
- Specific Gravity
- 1.04 · 1.04
- Appearance
- 33 °C · Colorless to off-white 33°C Liquid
- Water Solubility
- Insoluble in water.
- LogP
- 2.084 · 2.084 (est)
- CAS DataBase Reference
- 18294 · 18294-87-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 TQJ9EW4S · Z4TQJ9EW4S
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Cyclohexene-1-acetic acid used as pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers60 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
阿法埃莎（中国）化学有限公司
Related reactions
33 records
Compound notes
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