Basic information
- CAS
5345-01-7- Standard SMILES
CCC(C)(CC(=O)O)CC(=O)O- InChIKey
XAWFHZMTJUGGEE-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920893
Names & identifiers
- Preferred name
- 3-Ethyl-3-methylglutaric acid
- IUPAC
- 3-ethyl-3-methylpentanedioic acid
- English name
- 3-ETHYL-3-METHYLGLUTARIC ACID
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
3-Ethyl-3-methylglutaric acid3-Ethyl-3-methylpentanedioic acid5345-01-7DTXSID20201613NSC 2989EINECS 226-294-2RefChem:501365DTXCID50124104226-294-2EthylmethylglutaricacidMFCD00020494SCHEMBL1335602
Show more names
SKL5973-ethyl-3-methylpentanedioateB-ETHYL-B-METHYLGLUTARIC ACIDB-METHYL-B-ETHYLGLUTARIC ACID3-Ethyl-3-methylglutaricAcid>3-ETHYL-3-METHYLGLUTARIC ACID 97%
3-Ethyl-3-methylpentanedioicacidPentanedioic acid, 3-ethyl-3-methyl-.beta.-Methyl-.beta.-ethylglutaric acidE0285AB01329895-023-ethyl-3-methyl glutaric acidNSC29893-ethyl-3-methyl-pentanedioic acid
Database identifiers
- CAS
5345-01-7- PubChem CID
- 79290
- DTXSID
DTXSID20201613- EC Number
- 226-294-2
- Nikkaji
- J62.811E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 77 · 77-81 °C(lit.)
- Boiling point
- 345.17 °C · 345.17°C (rough estimate)
- Density
- 1.301 · 1.3010 (rough estimate)
- refractive index
- 1.4362 · 1.4362 (estimate)
- Water Solubility
- very faint turbidity in Water
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 5345 · 5345-01-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
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 40 reports by companies from 3 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
- wgk
- 3
- hs_code
- 2917198090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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