Basic information
- CAS
28897-58-7- Standard SMILES
CCC/C=C(\C)C(=O)O- InChIKey
AKOVMBAFZSPEQU-AATRIKPKSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
Overview
2-methyl-2E-hexenoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 2-Hexenoic acid, 2-methyl-
- IUPAC
- (E)-2-methylhex-2-enoic acid
- English name
- 2-Methyl-2-hexenoic acid
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
2-Methyl-2-hexenoic acid28897-58-72-Hexenoic acid, 2-methyl-EINECS 249-294-4DTXSID0067422RefChem:472887DTXCID2037891(E)-2-methylhex-2-enoic acid(E)-2-methyl-2-hexenoic acid2-methyl-2E-hexenoic acid(2E)-2-Methylhex-2-Enoic Acid97961-66-5
Show more names
2-Methyl-2-hexenoicRARECHEM AL BM 01622-methyl-2-hexenoicaci2-methylhex-2-enoic acid2-Methyl-2-hexenoicAcid>2-Hexenoic acid, 2-methyl-
2-Hexenoic acid, 2-methyl-, (2E)-MFCD00015855(2E)-2-Methyl-2-hexenoic acidEZM6AC2ZNF2-Methylhex-2-enoicacidSCHEMBL23310SCHEMBL6722403trans-2-methyl-hex-2-enoic acid
Database identifiers
- CAS
28897-58-7、97961-66-5- PubChem CID
- 5282650
- ChEBI
CHEBI:179470- UNII
- EZM6AC2ZNF
- EC Number
- 249-294-4
- Nikkaji
- J286.475D、J764.838C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -9.25 °C · -9.25°C (estimate)
- Boiling point
- 89 °C · 89 °C / 1mmHg
- Density
- 0.97 · 0.97
- refractive index
- 1.4273 · 1.4273 (estimate)
- Flash point
- 86 °C · 86°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- liquid
- color
- Colourless
- Odor
- 100 % · at 100.00 %. fruity cheese
- Odor Type
- cheesy
- LogP
- 2.095 · 2.095 (est)
- FDA UNII
- 6 AC2ZNF · EZM6AC2ZNF
- EPA Substance Registry System
- 2 · 2-Hexenoic acid, 2-methyl- (28897-58-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 34 · 34-36
- Safety Statements
- 26 · 26-27-36/37/39
- RIDADR
- 3265 · 3265
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2916199590 · 2916199590
Safety & regulation
GHS classification
GHS Classification
Danger
H290 (96.7%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Hexenoic acid, 2-methyl-
2-Hexenoic acid, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesMet. Corr. 1 (96.7%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2916199590
- risk_code
- 34-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-27-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Hexenoic acid, 2-methyl-: ACTIVE
Applications
Uses(E)-2-Methylhex-2-enoic Acid is a useful reagent for the synthesis of (oxodihydrofuranyl)alkenoates/alkanoates.
Suppliers25 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Additional notes
DefinitionChEBI: 2-methyl-2E-hexenoic acid is a medium-chain fatty acid.
Related reactions
2 records
Compound notes
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