Basic information
- CAS
18937-79-6- Standard SMILES
CCCC#CC(=O)OC- InChIKey
DHZPZBFOJDXEHS-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Methyl 2-hexynoate
- IUPAC
- methyl hex-2-ynoate
- English name
- Methyl 2-hexynoate
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
Methyl 2-hexynoateMethyl hex-2-ynoate18937-79-6ZM8E2XC4ZLNSC-289570DTXSID70172349RefChem:1089329DTXCID7094840242-690-82-Hexynoic acid, methyl esterMethyl2-hexynoate2-Hexynoic acid methyl ester
Show more names
Methyl 2-hexynoate, 98+%METHYL 2-HEXYNOATE, PURISS2-hexyoic acid methyl ester(4E)-3,7-dimethyl-3-octa-4,6-dienolMETHYL 2-HEXYNOATEMETHYL 2-HEXYNOATEMETHYL 2-HEXYNOATEMETHYL 2-HEXYNOATE
hex-2-ynoic acid methyl esterMethyl hexynoateEINECS 242-690-82-hexyne methyl esterUNII-ZM8E2XC4ZLMethyl 2-hexynoate, 98%SCHEMBL1088941SCHEMBL16287880
Database identifiers
- CAS
18937-79-6- PubChem CID
- 87860
- DTXSID
DTXSID70172349- UNII
- ZM8E2XC4ZL
- EC Number
- 242-690-8
- Nikkaji
- J114.207K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 64 · 64-66 °C/10 mmHg (lit.)
- Density
- 0.943 g/mL · 0.943 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 150 °C · 150 °C
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless to yellow
- BRN
- 1750018 · 1750018
- InChI
- 1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-4H2,1-2H3
- InChIKey
- DHZPZBFOJDXEHS-UHFFFAOYSA-N
- SMILES
- CCCC#CC(=O)OC
- FDA UNII
- 8 E2XC4ZL · ZM8E2XC4ZL
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- 3272
- hs_code
- 29161995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海鑫矽新材料有限公司13585834793 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Related reactions
3 records
Compound notes
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