2-Ethoxy-3-isopropylpyrazine

HCID 175170

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 72797-16-1
Standard SMILES: CCOc1nccnc1C(C)C
InChIKey: LTAUBPVQMBOANV-UHFFFAOYSA-N
Molecular formula: C9H14N2O
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.11061307

Names & identifiers

Preferred name: 2-Ethoxy-3-isopropylpyrazine
IUPAC: 2-ethoxy-3-propan-2-ylpyrazine
English name: 2-Ethoxy-3-isopropylpyrazine
Molecular formula: C9H14N2O
Molecular weight: 166.22

Names & synonyms

2-Ethoxy-3-isopropylpyrazine72797-16-1Pyrazine, 2-ethoxy-3-(1-methylethyl)-EINECS 276-847-7SU7E06NLO9DTXSID2072598FEMA NO. 46322-ETHOXY-3-(1-METHYLETHYL) PYRAZINE2-Ethoxy-3-(1-methylethyl)pyrazineRefChem:4714202-Ethoxy3-isopropylpyrazineDTXCID8047343

Show more names

3-isopropyl-2-ethoxypyrazine2-Ethoxy-3-isopropylpyrazine>2-ethoxy-3-(propan-2-yl)pyrazine2-Ethoxy-3-isopropylpyrazine in isooctane2-ETHOXY-3-ISOPROPYLPYRAZINE ISO 9001：2015 REACH

276-847-779797-16-12-ethoxy-3-propan-2-ylpyrazine2-ethoxy-3-(propan-2-yl)pyrazineMFCD000380292-Ethoxy-3-isopropyl pyrazineUNII-SU7E06NLO92-isopropyl-3-ethoxypyrazine

Database identifiers

CAS: 72797-16-1
PubChem CID: 175170
DTXSID: DTXSID2072598
UNII: SU7E06NLO9
EC Number: 276-847-7
Nikkaji: J318.832I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 128

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.010 - 1.040 (20 °C)

Solubility · 2 items

Slightly soluble in water

Soluble (in ethanol)

Boiling Point229-232 °C

Refractive Index1.500-1.510

Physical DescriptionClear colourless to yellow liquid; Slightly roasted nut aroma

Physicochemical properties

Boiling point: 230.5 · 230.5±40.0 °C(Predicted)
Density: 0.99 · 0.99
refractive index: 1.486 to · 1.4860 to 1.4900
FEMA: 4632 · 4632 | 2-ETHOXY-3-ISOPROPYLPYRAZINE
storage temp.: 2 · 2-8°C
form: clear liquid

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPyrazine, 2-ethoxy-3-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

Safety data

tsca: TSCA listed
hs_code: 2933998090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationPyrazine, 2-ethoxy-3-(1-methylethyl)-: INACTIVE

Suppliers51 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]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…