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TERT-OCTYL ISOCYANATE

CAS No.
1611-57-0
Chemical Name:
TERT-OCTYL ISOCYANATE
Synonyms
TERT-OCTYL ISOCYANATE;2-isocyanato-2,4,4-trimethylpentane;2,4,4-trimethyl-2-pentyl isocyanate;1,1,3,3-TETRAMETHYLBUTYL ISOCYANATE;Pentane, 2-isocyanato-2,4,4-trimethyl-;1,1,3,3-Tetramethylbutyl isocyanate 98%;1,1,3,3-Tetramethylbutyl isocyanate~2,4,4-Trimethyl-2-pentyl isocyanate
CBNumber:
CB0216720
Molecular Formula:
C9H17NO
Molecular Weight:
155.24
MDL Number:
MFCD00209615
MOL File:
1611-57-0.mol
MSDS File:
SDS
Last updated:2026-01-13 11:13:00
Product description Number Pack Size Price
1,1,3,3-Tetramethylbutyl isocyanate 98% 428345 1g $44
tert-OctylIsocyanate T204785 50mg $45
tert-OctylIsocyanate T204785 100mg $60
1,1,3,3-TETRAMETHYLBUTYL ISOCYANATE 95.00% CHM0115159 1G $711.74
1,1,3,3-TETRAMETHYLBUTYL ISOCYANATE 95.00% CHM0115159 5G $1235.96

TERT-OCTYL ISOCYANATE Properties

Boiling point 170-172 °C(lit.)
Density 0.859 g/mL at 25 °C(lit.)
refractive index n20/D 1.426(lit.)
Flash point 118 °F
storage temp. 2-8°C
form liquid
Sensitive Moisture Sensitive
InChI 1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey XOHBENIMDRFUIH-UHFFFAOYSA-N
SMILES CC(C)(C)CC(C)(C)N=C=O
CAS DataBase Reference 1611-57-0
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07,GHS08
Signal word  Danger
Hazard statements  H226-H302+H312+H332-H315-H317-H319-H334-H335
Precautionary statements  P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
target organs Respiratory system
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xn
Risk Statements  10-20/21/22-36/37/38
Safety Statements  16-23-26-36/37/39
RIDADR  UN 3080 6.1/PG 2
WGK Germany  3
HazardClass  6.1
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Limited Quantities 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
NFPA 704
2
4 0

TERT-OCTYL ISOCYANATE price More Price(8)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 428345 1,1,3,3-Tetramethylbutyl isocyanate 98% 1611-57-0 1g $44 2023-01-07 Buy
TRC T204785 tert-OctylIsocyanate 1611-57-0 50mg $45 2021-12-16 Buy
TRC T204785 tert-OctylIsocyanate 1611-57-0 100mg $60 2021-12-16 Buy
American Custom Chemicals Corporation CHM0115159 1,1,3,3-TETRAMETHYLBUTYL ISOCYANATE 95.00% 1611-57-0 1G $711.74 2021-12-16 Buy
American Custom Chemicals Corporation CHM0115159 1,1,3,3-TETRAMETHYLBUTYL ISOCYANATE 95.00% 1611-57-0 5G $1235.96 2021-12-16 Buy
Product number Packaging Price Buy
428345 1g $44 Buy
T204785 50mg $45 Buy
T204785 100mg $60 Buy
CHM0115159 1G $711.74 Buy
CHM0115159 5G $1235.96 Buy

TERT-OCTYL ISOCYANATE Chemical Properties,Uses,Production

Uses

1,1,3,3-Tetramethylbutyl isocyanate may be used in the synthesis of amides by Grignard reaction.

Synthesis Reference(s)

Journal of the American Chemical Society, 78, p. 4538, 1956 DOI: 10.1021/ja01599a008

General Description

1,1,3,3-Tetramethylbutyl isocyanate is a sterically hindered isocyanate. Its synthesis from tert-octylamine has been reported.

TERT-OCTYL ISOCYANATE Preparation Products And Raw materials

Raw materials

Preparation Products

TERT-OCTYL ISOCYANATE Suppliers

Global( 46)Suppliers
Supplier Tel Email Country ProdList Advantage
Wuhan Chemwish Technology Co., Ltd
027-67849912 sales@chemwish.com CHINA 10821 58
CONIER CHEM AND PHARMA LIMITED
+8618523575427 sales@conier.com China 49977 58
Aladdin Scientific
tp@aladdinsci.com United States 52923 58
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.
+8618950047208 ellena@amitychem.com China 43416 58
DAYANG CHEM (HANGZHOU) CO.,LTD
+86-88938639 +86-17705817739 info@dycnchem.com China 53803 58
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40228 62
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30123 84
Wuhan Chemwish Technology Co., Ltd 86-027-67849912 sales@chemwish.com China 35896 56
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42934 64
Sigma-Aldrich 021-61415566 800-8193336 orderCN@merckgroup.com China 51395 80

TERT-OCTYL ISOCYANATE Spectrum

TERT-OCTYL ISOCYANATE 1,1,3,3-TETRAMETHYLBUTYL ISOCYANATE 2,4,4-trimethyl-2-pentyl isocyanate 2-isocyanato-2,4,4-trimethylpentane 1,1,3,3-Tetramethylbutyl isocyanate~2,4,4-Trimethyl-2-pentyl isocyanate 1,1,3,3-Tetramethylbutyl isocyanate 98% Pentane, 2-isocyanato-2,4,4-trimethyl- 1611-57-0 CH33CCH2CCH32NCO ISOCYANATE Building Blocks Organic Building Blocks Nitrogen Compounds Isocyanates