Basic information
- Standard SMILES
C=CCOC(=O)OC- InChIKey
YHLVIDQQTOMBGN-UHFFFAOYSA-N- Molecular formula
- C5H8O3
- Average molar mass
- 116.11 g/mol
- Monoisotopic mass
- 116.04734412
Names & identifiers
- Preferred name
- Methyl 2-propen-1-yl carbonate
- IUPAC
- methyl prop-2-enyl carbonate
- English name
- Allyl methyl carbonate
- Molecular formula
- C5H8O3
- Molecular weight
- 116.12
Names & synonyms
Allyl methyl carbonateMETHYL PROP-2-EN-1-YL CARBONATEMethyl 2-propen-1-yl carbonateDTXSID30109313RefChem:814604DTXCID901776207468-750-5628-529-835466-83-2methyl prop-2-enyl carbonateCarbonic Acid Allyl Methyl EsterMFCD00134545
Show more names
Ally methyl carbonateAllyl Methyl carbonate 98%methylprop-2-enylcarbonateAllyl Methyl Carbonate >Allyl methyl carbonate ,98%3-(Methoxycarbonyloxy)propene
c1315methyl allyl carbonateIsobutylene carbonateCarbonic acid, methyl 2-propenyl esterAllyl methyl carbonate #prop-2-enyl methoxyformateSCHEMBL28206Allyl methyl carbonate, 98%
Database identifiers
- CAS
35466-83-2- PubChem CID
- 534788
- DTXSID
DTXSID30109313- EC Number
- 468-750-5、628-529-8
- Nikkaji
- J382.971E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 87.7
Physicochemical properties
- Boiling point
- 59 · 59-60 °C/35 mmHg (lit.)
- Density
- 1.022 g/mL · 1.022 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.406(lit.)
- Flash point
- 93 °F · 93 °F
- storage temp.
- Refrigerator
- form
- Liquid
- color
- Clear colorless
- BRN
- 1746960 · 1746960
- InChI
- 1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3
- InChIKey
- YHLVIDQQTOMBGN-UHFFFAOYSA-N
- SMILES
- COC(=O)OCC=C
- EPA Substance Registry System
- 2 · Carbonic acid, methyl 2-propenyl ester (35466-83-2)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36-37/39-16
- RIDADR
- 3272 · UN 3272 3/PG 3
- WGK Germany
- 3 · 3
- F
- 21 · 21
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29209090 · 29209090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- REACH Registrations
- Inactive
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory InformationStatus: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3762
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Safety data
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29209090
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesEmployed in the Pd(0)-mediated synthesis of allyl aryl ethers and sulfides, and α,β-unsaturated carbonyls.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
苏州腾龙生物医药技术有限公司0731-82251112-821 18974822355 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [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]
江苏明化合晟生物科技有限公司0519-85170101 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
成都叮当时代医药科技有限公司028-86040038 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
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