Carbamic acid, 2-ethylhexyl ester

HCID 94289
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Basic information

CAS
4248-21-9
Standard SMILES
CCCCC(CC)COC(N)=O
InChIKey
OZDFMZUKOBBNHM-UHFFFAOYSA-N
Molecular formula
C9H19NO2
Average molar mass
173.25 g/mol

Names & identifiers

Preferred name
Carbamic acid, 2-ethylhexyl ester
IUPAC
2-ethylhexyl carbamate
English name
Ethylhexylcarbamate
Molecular formula
C9H19NO2
Molecular weight
173.25

Names & synonyms

2-Ethylhexyl carbamate4248-21-9Carbamic acid, 2-ethylhexyl esterP9F832T70QRefChem:1080857BRN 17634202-ethylhexylcarbamate2-ethylhexylcarba-mate4-03-00-00060 (Beilstein Handbook Reference)SCHEMBL467541SCHEMBL467542UNII-P9F832T70Q
Show more names
Ethylhexylcarbamate
CHEMBL2086998DTXSID90962527OZDFMZUKOBBNHM-UHFFFAOYSA-N2-Ethylhexyl hydrogen carbonimidateQ27894414

Database identifiers

CAS
4248-21-9
PubChem CID
94289
DTXSID
DTXSID90962527
ChEMBL
CHEMBL2086998
UNII
P9F832T70Q

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
12

Physicochemical properties

Melting point
61 °C · 61 °C
Boiling point
247.42 °C · 247.42°C (estimate)
Density
0.9221 · 0.9221 (estimate)
refractive index
1.4215 · 1.4215 (estimate)
pka
13.47 · 13.47±0.50(Predicted)
FDA UNII
9 F832T70Q · P9F832T70Q

Chemistry & industry

Suppliers17 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
新沂市永诚化工有限公司15952286050 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
上海青航化工有限公司021-50840321, 18601625411 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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