Basic information
- CAS
160351-88-2- Standard SMILES
CCOC(=O)C1CC(O)C1- InChIKey
KTVUZBJHOAPDGC-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- Ethyl 3-hydroxycyclobutane-1-carboxylate
- IUPAC
- ethyl 3-hydroxycyclobutane-1-carboxylate
- English name
- 3-Hydroxy-cyclobutanecarboxylic acid ethyl ester
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
17205-02-6160351-88-2ethyl 3-hydroxycyclobutane-1-carboxylateDTXSID90938085RefChem:594984DTXCID101366632ethyl rac-(1R,3R)-3-hydroxycyclobutane-1-carboxylate674-911-2827-954-8Ethyl 3-hydroxycyclobutanecarboxylate160351-97-33-Hydroxy-cyclobutanecarboxylic acid ethyl ester
Show more names
Ethyl 3-hydroxycyclobutan...Ethyl 3-hydroxycyclobutane-1-carboxylate 95%Cyclobutanecarboxylic acid, 3-hydroxy-, ethyl ester
Ethyl trans-3-hydroxycyclobutanecarboxylate(cis)-ethyl 3-hydroxycyclobutanecarboxylatecis-3-Hydroxycyclobutanecarboxylic acid ethyl esterEthyl cis-3-hydroxycyclobutanecarboxylate(1S,3S)-Ethyl 3-hydroxycyclobutanecarboxylateMFCD09758972cis-Ethyl 3-hydroxycyclobutanecarboxylatetrans-ethyl 3-hydroxycyclobutanecarboxylate
Database identifiers
- CAS
160351-88-2、17205-02-6- PubChem CID
- 21716982
- DTXSID
DTXSID90938085- EC Number
- 674-911-2、827-954-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 209 ℃ · 209℃
- Density
- 1.18 · 1.180
- refractive index
- 1.4504 · 1.4504
- Flash point
- 83 ℃ · 83℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- liquid
- color
- Clear Colourless
- InChI
- InChI=1S/C7H12O3/c1-2-10-7(9)5-3-6(8)4-5/h5-6,8H,2-4H2,1H3
- InChIKey
- KTVUZBJHOAPDGC-UHFFFAOYSA-N
- SMILES
- C1(C(OCC)=O)CC(O)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 336 · H336
- Precautionary statements
- 501 · P501-P261-P271-P304+P340+P312-P403+P233-P405
- HS Code
- 2918300090 · 2918300090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H336
- Precautionary statements
- P501-P261-P271-P304+P340+P312-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
宁波苯康基石医药科技有限公司15990591583
赛纳斯特化学（欢迎点击联系）021-60343070
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Related reactions
5 records
Compound notes
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