Basic information
- CAS
1192-62-7- Standard SMILES
CC(=O)c1ccco1- InChIKey
IEMMBWWQXVXBEU-UHFFFAOYSA-N- Molecular formula
- C6H6O2
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.03677943
Names & identifiers
- Preferred name
- 2-Acetylfuran
- IUPAC
- 1-(furan-2-yl)ethanone
- English name
- 2-Acetylfuran
- Molecular formula
- C6H6O2
- Molecular weight
- 110.11
Names & synonyms
2-Acetylfuran1192-62-71-(furan-2-yl)ethanoneAcetylfuran2-Furyl methyl ketoneEthanone, 1-(2-furanyl)-1-(2-Furyl)ethanoneMethyl 2-furyl ketoneKetone, 2-furyl methyl2-Furylethanone1-(Furan-2-yl)ethan-1-one1-(2-FURANYL)ETHANONE
Show more names
2-furylACFFEMA 31632-Acetyfuran2-furylmethyl2-acetylfurane
FEMA No. 3163Q5ZRP80K02CHEBI:59983NSC-4665NSC-49133DTXSID0051601RefChem:85001DTXCID1030153
Database identifiers
- CAS
1192-62-7- PubChem CID
- 14505
- DTXSID
DTXSID0051601- ChEBI
CHEBI:59983- UNII
- Q5ZRP80K02
- EC Number
- 214-757-1
- Nikkaji
- J45.573C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98
Experimental & physicochemical properties
LogP0.52
Density1.102-1.107
Solubility
Very slightly soluble in water; Slightly soluble in propylene glycol, vegetable oils
Soluble (in ethanol)
Boiling Point
67.00 °C. @ 10.00 mm Hg
67 °C (10 mm Hg)
Melting Point33 °C
Refractive Index1.505-1.510
Physical Description
Solid
Yellow to brown liquid; Coffee-like aroma
Kovats Retention Index
879；878；892；881；887；892；884；883；882；882；882；890；876；882；886；887；889；895；896；893
914；925；906；888；925；910；916；929；927；910；910；910；910.6；908；909；915；923；904；923；907
1511；1519；1501；1488；1500；1500；1510；1510；1496；1507；1475；1489；1497；1500；1479；1475；1511；1511；1498；1489
Physicochemical properties
- Melting point
- 26 · 26-28 °C(lit.)
- Boiling point
- 67 °C10 · 67 °C10 mm Hg(lit.)
- Density
- 1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5070(lit.)
- FEMA
- 3163 · 3163 | 2-FURYL METHYL KETONE
- FLAVIS Number
- 13.054 · 13.054 | 2-Acetylfuran
- Flash point
- 160 °F · 160 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 51.2 mg/mL · >51.2 mg/mL in DMSO; >52 mg/mL in EtOH
- form
- Liquid or Low Melting Solid
- color
- light yellow to orange, darkens over time
- Specific Gravity
- 1.098 · 1.098
- Odor
- 1 % · at 1.00 % in dipropylene glycol. sweet balsam almond cocoa caramel coffee
- Odor Type
- balsamic
- biological source
- synthetic
- explosive limit
- 2.1 · 2.1-15.2%(V)
- Water Solubility
- Insoluble in water.
- JECFA Number
- 1503 · 1503
- BRN
- 107909 · 107909
- Major Application
- cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
- InChIKey
- IEMMBWWQXVXBEU-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccco1
- LogP
- 0.52 · 0.52
- CAS DataBase Reference
- 1192 · 1192-62-7(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2-FURYL METHYL KETONE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 ZRP80K02 · Q5ZRP80K02
- NIST Chemistry Reference
- 1 · Ethanone, 1-(2-furanyl)-(1192-62-7)
- EPA Substance Registry System
- 2 · 2-Acetylfuran (1192-62-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H330-H311-H319
- Precautionary statements
- 260 · P260-P264-P280-P302+P352+P312-P304+P340+P310-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21-25-41-36/37-23/25
- Safety Statements
- 26 · 26-36/37/39-45-39-38-28A
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3870000 · OB3870000
- Hazard Note
- Toxic
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29321900 · 29321900
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 2 OralAcute Tox. 3 DermalEye Irrit. 2
- Toxicity
- 50 · rat,LC50,inhalation,1130mg/m3/4H (1130mg/m3),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0559116,
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H310 (95.6%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (96.2%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1517 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(2-furanyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furyl methyl ketone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanone, 1-(2-furanyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (96.8%)；Acute Tox. 2 (95.6%)；Eye Irrit. 2 (92.9%)；Acute Tox. 2 (96.2%)
Regulatory information
Regulatory Information
Chemical: Ethanone, 1-(2-furanyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furyl methyl ketone: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OB3870000
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29321900
- Toxicity
- rat,LC50,inhalation,1130mg/m3/4H (1130mg/m3),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0559116,
- risk_code
- 20/21-25-41-36/37-23/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 26-36/37/39-45-39-38-28A
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300+H330-H311-H319
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 2 OralAcute Tox. 3 DermalEye Irrit. 2
- Precautionary statements
- P260-P264-P280-P302+P352+P312-P304+P340+P310-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanone, 1-(2-furanyl)-: ACTIVE
Applications
Occurrence2-Acetylfuran is the most abundant flavour compound in Tamarind, where its aroma, in conjunction with alpha-terpineol, citral and some trace pyrazines, contributes to the flavour.Reported found as a constituent in coffee aroma; also isolated from beech and oak wood tar oils; an aroma component of yellow passion fruit (Passiflora edulis f. flavicarpa); also a volatile flavor component of potato chips. Also reported in tomato paste, roasted beef, grilled pork, beer, rum, red wine and green tea.
Uses2-Acetylfuran is a useful intermediate in the synthesis of fine chemicals and pharmaceuticals, and is used in the production of the generic cephalophosphorin antibiotic cefuroxime
Uses2-Acetylfuran is a widely used reagent in manufacturing pharmaceuticals and aroma compounds.
General Description2-Furyl methyl ketone is a volatile heterocyclic flavor compound that may be formed in food due to Maillard reaction. It has been reported in roasted sesame seeds, fried beef and sweet corn products.
Preparation methods
Preparation2-Acetylfuran is synthesized from furan and acetyl chloride by a Friedel–Kraft condensation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[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]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
吉良化学21-62165282 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
杭州东帆化学有限公司86-0571-85151182
孝感深远化工有限公司15527621225; 15527621225 · [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]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [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]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
无锡中坤生化科技有限公司+86 0510-85629785
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
Additional notes
DefinitionChEBI: 2-acetylfuran is a furan carrying an acetyl substituent at the 2-position. Used in the production of the antibiotic cefuroxime (CHEBI:3515). It is a member of furans, a methyl ketone and an aromatic ketone.
Related reactions
126 records
Compound notes
Loading…