Ethyl 4-hydroxycyclohexanecarboxylate

HCID 86973
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Basic information

CAS
17159-80-7
Standard SMILES
CCOC(=O)C1CCC(O)CC1
InChIKey
BZKQJSLASWRDNE-UHFFFAOYSA-N
Molecular formula
C9H16O3
Average molar mass
172.22 g/mol
Monoisotopic mass
172.10994437

Overview

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Names & identifiers

Preferred name
Ethyl 4-hydroxycyclohexanecarboxylate
IUPAC
ethyl 4-hydroxycyclohexane-1-carboxylate
English name
ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE
Molecular formula
C9H16O3
Molecular weight
172.22

Names & synonyms

Ethyl 4-hydroxycyclohexanecarboxylate17159-80-7ethyl 4-hydroxycyclohexane-1-carboxylateCyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester4-Hydroxycyclohexanecarboxylic acid ethyl esterEINECS 241-215-1DTXSID90169135AI3-28355D266CGU6M5RefChem:138771DTXCID7091626241-215-1
Show more names
4-HydroxycyclohexanecarboxylateEthyl 4-hydroxycyclohexanecarbonateEthyl 4-hydroxycyclohexylcarboxylateEthyl4-hydroxycyclohexanecarboxylate,98%Ethyl 4-hydroxycyclohexanecarboxylate 97%Ethyl 4-hydroxycyclohexanecarboxylate≥ 99% (assay)
3618-04-075877-66-6cis-Ethyl 4-hydroxycyclohexanecarboxylatetrans-ethyl 4-hydroxycyclohexanecarboxylateEthyl trans-4-HydroxycyclohexanecarboxylateEthyl cis-4-hydroxycyclohexanecarboxylatetrans-4-Hydroxycyclohexanecarboxylic Acid Ethyl EsterMFCD00192156

Database identifiers

CAS
17159-80-7、3618-04-0、75877-66-6
PubChem CID
86973
DTXSID
DTXSID90169135
UNII
DYE45Z9SRP、R7LV2TYU78
EC Number
187-677-7、241-215-1
Nikkaji
J3.152.123H、J3.311.411G、J318.163D

Properties

Computed structural properties

XLogP
1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesIndustrial compound

Physicochemical properties

Boiling point
127 · 127-134 °C0.1 mm Hg(lit.)
Density
1.068 g/mL · 1.068 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.466(lit.)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
2918199890
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesEthyl 4-hydroxycyclohexanecarboxylate, cis + trans is used in the synthesis of other chemicals and as pharmaceutical intermediate.

Upstream & downstream products

Suppliers85 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Related reactions

106 records
New reaction record

Compound notes

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