Basic information
- CAS
71868-10-5- Standard SMILES
CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1- InChIKey
LWRBVKNFOYUCNP-UHFFFAOYSA-N- Molecular formula
- C15H21NO2S
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.12929991
Overview
a photo-initiator
Names & identifiers
- Preferred name
- 2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanone
- IUPAC
- 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
- English name
- 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone
- Molecular formula
- C15H21NO2S
- Molecular weight
- 279.4
Names & synonyms
71868-10-52-Methyl-4'-(methylthio)-2-morpholinopropiophenoneCACCURE 907DTXSID8038857Irganox 907722CLJ6H6K1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-2-Methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-oneDTXCID60188572-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone1-Propanone, 2-methyl-1-(4-(methylthio)phenyl)-2-(4-morpholinyl)-IR-907
Show more names
907Irgacure 907MMMPOmnirad 907YF-PI 9072-methyl-1-(4-methylthio)2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-1-Propanone
2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanoneMTMP cpdMTMPPRefChem:475438400-600-6615-621-82-Methyl-1-(4-(methylthio)phenyl)-2-morpholinopropan-1-one2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
Database identifiers
- CAS
71868-10-5- PubChem CID
- 92387
- DTXSID
DTXSID8038857- ChEMBL
CHEMBL1411716- UNII
- 722CLJ6H6K
- EC Number
- 400-600-6、615-621-8
- Nikkaji
- J73.113G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Synthetic Cathinones
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP3.49
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; Large Crystals; Liquid
Collision Cross Section166.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8038857]
Physicochemical properties
- Melting point
- 74 · 74-76 °C(lit.)
- Boiling point
- 210 °C/76mmHg · 210°C/76mmHg(lit.)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Flash point
- 165 ℃ · 165℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 162 in · 162 in mg/100g standard fat at 20 ℃
- form
- powder to crystal
- pka
- 4.77 · 4.77±0.10(Predicted)
- color
- White to Almost white
- Water Solubility
- 17.9 mg/L · 17.9mg/L at 20℃
- Cosmetics Ingredients Functions
- BINDING
- InChI
- 1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
- InChIKey
- LWRBVKNFOYUCNP-UHFFFAOYSA-N
- SMILES
- CSc1ccc(cc1)C(=O)C(C)(C)N2CCOCC2
- LogP
- 3.09 at · 3.09 at 25℃
- Substances of Very High Concern (SVHC) Candidate List
- 2 · 2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one (71868-10-5)
- CAS DataBase Reference
- 71868 · 71868-10-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 722 CLJ6H6K · 722CLJ6H6K
- EPA Substance Registry System
- 1 · 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- (71868-10-5)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H360FD-H411
- Precautionary statements
- 202 · P202-P264-P270-P273-P301+P312-P308+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-51/53
- Safety Statements
- 22 · 22-61
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2Repr. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-
Hazard Traits - Reproductive Toxicity
1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 22-04-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/1574
Substance: 2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one
Other Safety InformationEvaluation - 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-
Hazard Classes and Categories
Acute Tox. 4 (99.4%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Reproductive toxicity - Category 1B
Repr. 1B
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29349990
- risk_code
- 22-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xn,N
- safety_code
- 22-61
- hazard_class
- 9
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H302-H360FD-H411
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Repr. 1B
- Precautionary statements
- P202-P264-P270-P273-P301+P312-P308+P313
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesPhotosensitive agent
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Paint and Coating Manufacturing
1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-: ACTIVE
Applications
UsesPhotoinitiator-907 is an efficient UV photoinitiator for initiating UV polymerization of unsaturated prepolymer systems.
Upstream & downstream products
Upstream raw materials
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [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]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宇瑞（上海）化学有限公司02150456736 18602143071 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州索森新材料科技有限公司18357035212 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
吉良化学21-62165282 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
恒桥产业股份有限公司025-84712192 · [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]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
青岛德达志成化工有限公司18766299236 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
无锡海伦生物科技有限公司0510-85629785 18051595327 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
广州市广传电子材料有限公司020-34886591 020-34886592 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海习致化学有限公司021-69005855 13701817869 · [email protected]
Related reactions
10 records
Compound notes
Loading…