Basic information
- CAS
1888-91-1- Standard SMILES
CC(=O)N1CCCCCC1=O- InChIKey
QISSLHPKTCLLDL-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Overview
N-Acetylcaprolactam is a member of caprolactams.
Names & identifiers
- Preferred name
- N-Acetylcaprolactam
- IUPAC
- 1-acetylazepan-2-one
- English name
- N-Acetylcaprolactam
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
N-Acetylcaprolactam1888-91-12H-AZEPIN-2-ONE, 1-ACETYLHEXAHYDRO-AcetylcaprolactamN-Acetyl-6-caprolactamN-AcetylhexanelactamAcetylkaprolaktamN-Acetyl-epsilon-caprolactamAcetylkaprolaktam [Czech]ACTIVATOR ON-Acetyl-.epsilon.-caprolactamNSC 522408
Show more names
ACETYLCAPRYLOLACTAMTIMTEC-BB SBB008053N-Acetylhexanlactam1-Acetyl-2-azepanone1-acetyl-caprolactam
BRN 0119598EINECS 217-565-62H-Azepin-2-one, 1-acetyltetrahydro-5-21-06-00460 (Beilstein Handbook Reference)AI3-39193171CCE77J8NSC-522408DTXSID1062041
Database identifiers
- CAS
1888-91-1- PubChem CID
- 15904
- DTXSID
DTXSID1062041- ChEMBL
CHEMBL12355- ChEBI
CHEBI:182373- UNII
- 171CCE77J8
- EC Number
- 217-565-6
- Nikkaji
- J68.152K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 134 · 134-135 °C/26 mmHg (lit.)
- Density
- 1.094 g/mL · 1.094 g/mL at 25 °C (lit.)
- vapor pressure
- 2.71 Pa · 2.71Pa at 20℃
- refractive index
- 20 · n20/D 1.489(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- -1.42 · -1.42±0.20(Predicted)
- color
- Colorless to Light yellow
- Water Solubility
- 81.7 g/L · 81.7g/L at 20℃
- BRN
- 119598 · 119598
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
- InChIKey
- QISSLHPKTCLLDL-UHFFFAOYSA-N
- SMILES
- CC(=O)N1CCCCCC1=O
- LogP
- 0.95 at · 0.95 at 23℃
- CAS DataBase Reference
- 1888 · 1888-91-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 171 CCE77J8 · 171CCE77J8
- NIST Chemistry Reference
- N-Acetylcaprolactam(1888-91-1)
- EPA Substance Registry System
- 2 H-Azepin-2-one, · 2H-Azepin-2-one, 1-acetylhexahydro- (1888-91-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- WGK Germany
- 1 · 1
- RTECS
- 3599500 · CM3599500
- TSCA
- TSCA listed
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
- REACH Registrations
- Active
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
H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 195 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: N-acetylhexanelactam (EC: 217-565-6)
Hazard Classes and CategoriesAcute Tox. 4 (99.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- CM3599500
- hs_code
- 2933998090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H319
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Azepin-2-one, 1-acetylhexahydro-: ACTIVE
Applications
UsesN-Acetylcaprolactam has been used:as initiator to investigate kinetics of anionic polymerization of ε-caprolactamin ring-opening polymerization of nylon 6
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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
邹平铭远进出口贸易有限公司18364991597 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
武汉问津化学科技有限公司13517196568 · [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]
湖北佩孜医药科技有限公司0712-4220300 17720472265 · [email protected]
石家庄苏瑞化工有限公司15833970389 15833970389 · [email protected]
Syntechem Co.,Ltd[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]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [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]
艾科试剂4008-755-333 18080918076 · [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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
武汉市罗氏科技发展有限公司18986168071; 18986168071 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
曲阜海大天成生物化工有限公司0537-4531868 18553729317 · [email protected]
中山市迪欣化工有限公司0760-1893339-0325 18933390325 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [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]
珠海安哲生物科技有限公司13169972583 · [email protected]
南京晖康生物科技有限公司025-52110956 17372769668 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Additional notes
DefinitionChEBI: N-Acetylcaprolactam is a member of caprolactams.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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