Basic information
- CAS
2396-80-7- Standard SMILES
C=CCCCC(=O)OC- InChIKey
ASKDFGVMJZMYEM-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- Methyl 5-Hexenoate
- IUPAC
- methyl hex-5-enoate
- English name
- 5-Hexenoic acid methyl ester
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
Methyl 5-hexenoateRefChem:817094607-297-12396-80-7methyl hex-5-enoate5-Hexenoic Acid Methyl Ester5-Hexenoic acid, methyl esterMethyl5-hexenoateMFCD00671538Methyl-5-hexenoateSCHEMBL514869Methyl ester of 5-hexenoic acid
Show more names
Methyl5-Hexenoate>Hexenoicacidmethylester5-HEXENOIC ACID METHYL ESTER 98+%Methyl 5-hexenoate,98% (stabilized with MEHQ)
DTXSID30946806AKOS025294972Methyl 5-hexenoate, >=95.0% (GC)H11902Hex-5-enoic acid methyl ester5-HexeFT-0722870A878079
Database identifiers
- CAS
2396-80-7- PubChem CID
- 520082
- DTXSID
DTXSID30946806- EC Number
- 607-297-1
- Nikkaji
- J121.689I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Boiling point
- 157 °C · 157 °C
- Density
- 0 · 0,91 g/cm3
- refractive index
- 20 · n20/D 1.421
- Flash point
- 46 °C · 46°C
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h3H,1,4-6H2,2H3
- InChIKey
- ASKDFGVMJZMYEM-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CCCC=C
- LogP
- 1.89 · 1.890 (est)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302
- Precautionary statements
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN3272 3/PG 3
- hs_code
- 2916199590
- risk_code
- 36/37/38-10-22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
单县览铂生物科技有限公司15854067352 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
12 records
Compound notes
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