Basic information
- CAS
32749-94-3- Standard SMILES
CCC(C)C(C)C=O- InChIKey
BOHKXQAJUVXBDQ-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2,3-Dimethylpentanal
- IUPAC
- 2,3-dimethylpentanal
- English name
- 2,3-DIMETHYLPENTANAL
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
2,3-Dimethylpentanal2,3-Dimethylvaleraldehyde2,3-DimethylpentaldehydeDTXSID1022213RefChem:442544DTXCID102213251-193-532749-94-3Pentanal, 2,3-dimethyl-Valeraldehyde, 2,3-dimethyl-2,3-Dimethyl-pentanalCHEMBL18278
Show more names
Butanal, 3-ethyl-2-methyl2,3-dimethyl-valeraldehyd
EINECS 251-193-5NSC 73707BRN 1901854AI3-33228NSC737073944-76-1Pentanal,3-dimethyl-Valeraldehyde,3-dimethyl-
Database identifiers
- CAS
32749-94-3- PubChem CID
- 61917
- DTXSID
DTXSID1022213- ChEMBL
CHEMBL18278- EC Number
- 251-193-5
- Nikkaji
- J54.450G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.8
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
Physicochemical properties
- Melting point
- -43.35 °C · -43.35°C (estimate)
- Boiling point
- 143.73 °C · 143.73°C (estimate)
- Density
- 0.8225 · 0.8225 (estimate)
- refractive index
- 1.4108 · 1.4108 (estimate)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. green ethereal
- Odor Type
- green
- LogP
- 2.13 · 2.130 (est)
- CAS DataBase Reference
- 32749 · 32749-94-3
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H317
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 3rd degree
Safety data
- ridadr
- 1989
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H226-H317
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P261-P272-P303+P361+P353-P370+P378-P302+P352-P333+P313-P362+P364-P403+P235-P501
Chemistry & industry
Applications
Uses2,3-Dimethylpentanal is present as a volatile flavor compound in fermented sausages and Anas platyrhynchos pressed salted duck. It is an intermediate in the synthesis of Mebutizide (M202550) which is a thiazide diuretic.
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
浙江博华环境技术工程有限公司13736605360
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
湖北麦凯斯精化科技有限责任公司13026126800 13026126800;13027176014 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
AFINE CHEMICALS LIMITED
Related reactions
2 records
Compound notes
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