Basic information
- CAS
373-44-4- Standard SMILES
NCCCCCCCCN- InChIKey
PWGJDPKCLMLPJW-UHFFFAOYSA-N- Molecular formula
- C8H20N2
- Average molar mass
- 144.26 g/mol
- Monoisotopic mass
- 144.16264864
Overview
1,8-diaminooctane is an alkane-alpha,-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.
Names & identifiers
- Preferred name
- 1,8-Octanediamine
- IUPAC
- octane-1,8-diamine
- English name
- 1,8-Diaminooctane
- Molecular formula
- C8H20N2
- Molecular weight
- 144.26
Names & synonyms
1,8-Diaminooctaneoctane-1,8-diamine373-44-41,8-OctanediamineOctamethylenediamine1,8-Octylenediamine53A6694PIEDTXSID9073173CHEBI:73112RefChem:855909DTXCID5039309206-764-3
Show more names
OCTAMETHYLENDIAMINEXin diaMine8-Diaminooctane1,8-Oktandiamin1,8-diaMine XinFENTAMINE HP-821,8- Octylamine
1,8-OctamethylenediamineOCTANE 1,8-DIAMINEDiaminooctaneEINECS 206-764-3octamethylene diamineUNII-53A6694PIEBRN 1735426alpha,omega-diaminooctane
Database identifiers
- CAS
373-44-4- PubChem CID
- 24250
- DTXSID
DTXSID9073173- ChEMBL
CHEMBL29392- ChEBI
CHEBI:73112- UNII
- 53A6694PIE
- EC Number
- 206-764-3
- Nikkaji
- J38.924B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 47.2
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionFaint yellow crystals, hygroscopic; [MSDSonline]
Physicochemical properties
- Melting point
- 50 · 50-52 °C(lit.)
- Boiling point
- 225 · 225-226 °C(lit.)
- Density
- 0.98 g/mL · 0.98 g/mL at 20 °C
- vapor pressure
- 0.1 hPa · <0.1 hPa (20 °C)
- refractive index
- 1.4618 · 1.4618 (estimate)
- Flash point
- 329 °F · 329 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 575 g/l · 575g/l
- form
- Solidified Crystalline Mass
- pka
- 11 · 11.00, 10.1(at 20℃)
- color
- White to yellow
- PH
- 11.7 · 11.7 (4g/l, H2O, 20℃)
- explosive limit
- 1.1 · 1.1-6.8%(V)
- Water Solubility
- 575 g/L · 575 g/L (20 ºC)
- Sensitive
- Hygroscopic
- BRN
- 1735426 · 1735426
- InChI
- 1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
- InChIKey
- PWGJDPKCLMLPJW-UHFFFAOYSA-N
- SMILES
- NCCCCCCCCN
- LogP
- 0.896 at · 0.896 at 25℃
- CAS DataBase Reference
- 373 · 373-44-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 53 A6694PIE · 53A6694PIE
- NIST Chemistry Reference
- 1 · 1,8-Diaminooctane(373-44-4)
- EPA Substance Registry System
- 1 · 1,8-Octanediamine (373-44-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H317
- Precautionary statements
- 260 · P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36/37/38
- Safety Statements
- 26 · 26-36/37/39-45-37/39
- RIDADR
- 3259 · UN 3259 8/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 8841500 · RG8841500
- F
- 3 · 3-9-23
- Autoignition Temperature
- 280 °C · 280 °C DIN 51794
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29212900 · 29212900
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
- Toxicity
- 50 orally · LD50 orally in Rabbit: 500 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,8-Octanediamine
Status: Active Update: 13-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12396
1,8-Diaminooctane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCorrosive to the skin; Can cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 3-9-23
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- RG8841500
- ridadr
- UN 3259 8/PG 3
- hs_code
- 29212900
- Toxicity
- LD50 orally in Rabbit: 500 mg/kg
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45-37/39
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302-H314-H317
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
- Autoignition Temperature
- 280 °C DIN 51794
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesUsed to produce fungicides; [Ullmann]
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses1,8-Diaminooctane is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海比阳实业有限公司+86-15021878111 · [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]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [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]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [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]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [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]
北京华扬致成科技有限公司13716033033 · [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]
Changzhou Fullone Chemical Co., Ltd.+86-13328197671 +86-13861172460 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Additional notes
DefinitionChEBI: 1,8-diaminooctane is an alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.
Related reactions
52 records
Compound notes
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