Basic information
- Standard SMILES
CC1CC1C(=O)O- InChIKey
AYEGPMGNMOIHDL-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.0524295
Names & identifiers
- Preferred name
- 2-Methylcyclopropanecarboxylic acid
- IUPAC
- 2-methylcyclopropane-1-carboxylic acid
- English name
- 2-Methylcyclopropanecarboxylic acid
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
2-Methylcyclopropanecarboxylic acid29555-02-0RefChem:1063811249-693-32-methylcyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-methyl-MFCD000012936142-57-0EINECS 228-141-5EINECS 249-693-32-METHYLCYCLOPROPANECARBOXYLIC ACID, CIS + TRANSSCHEMBL265423
Show more names
2-Methylcyclopropylcarboxylic acid2-METHYLCYCLOPROPANECARBOXYLICCID 98%2-Methyl-1-cyclopropanecarboxylic acid2-Methylcyclopropanecarboxylic acid,98%2-Methylcyclopropanecarboxylic acid 98%(Z+E)-2-methyl cyclopropane carboxylic acid2-Methylcyclopropanecarboxylic acid, cis + trans, 97+%
trans-Methylcyclopropanecarboxylic AcidSB40895SCHEMBL3147457SCHEMBL3926378SCHEMBL5966216SCHEMBL6177826SCHEMBL6178342(1S,2R)-2-methylcyclopropaneca
Database identifiers
- CAS
29555-02-0、6142-57-0、6202-94-4- PubChem CID
- 99873
- DTXSID
DTXSID50871363- EC Number
- 228-141-5、249-693-3
- Nikkaji
- J286.904G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98.3
Physicochemical properties
- Boiling point
- 190 · 190-191 °C745 mm Hg(lit.)
- Density
- 1.027 g/mL · 1.027 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.439(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- pka
- 4.88 · 4.88±0.11(Predicted)
- color
- Colourless
- Specific Gravity
- 1.027 · 1.027
- BRN
- 2323873 · 2323873
- InChI
- 1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)
- InChIKey
- AYEGPMGNMOIHDL-UHFFFAOYSA-N
- SMILES
- CC1CC1C(O)=O
- LogP
- 0.57 · 0.570 (est)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29162090 · 29162090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Corr. 1B (100%)
Skin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29162090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses2-Methylcyclopropanecarboxylic acid is used in preparation of Spirocyclic Dihydroindols as HPK1 inhibitors.
General Descriptioncis-2-methylcyclopropanecarboxylic acid is a component of curacin A.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
重庆科脉材料科技有限公司17830741407 · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
东晟凯瑞（上海）医药科技有限公司15800326364 18051538752
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]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [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]
斯派螺（武汉）药物研发有限公司[email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
杭州创瑞化工科技有限公司17300981287 13757145729 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
BOC Sciences[email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
天津合信成赛科科技发展有限公司022-23410962 13752273685 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
南京一览生物科技有限公司13851808754 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
Related reactions
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