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3-(Trimethylsilyloxy)-1-butyne

HCID 28817
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
17869-76-0
Standard SMILES
C#CC(C)O[Si](C)(C)C
InChIKey
RMKACVRKUKSWNQ-UHFFFAOYSA-N
Molecular formula
C7H14OSi
Average molar mass
142.27 g/mol
Monoisotopic mass
142.0813916

Names & identifiers

Preferred name
3-(Trimethylsilyloxy)-1-butyne
IUPAC
but-3-yn-2-yloxy(trimethyl)silane
English name
2-TRIMETHYLSILYLOXY-3-BUTYNE
Molecular formula
C7H14OSi
Molecular weight
142.27

Names & synonyms

3-(Trimethylsilyloxy)-1-butyneRefChem:496469625-502-217869-76-0(but-3-yn-2-yloxy)trimethylsilanebut-3-yn-2-yloxy(trimethyl)silane2-Trimethylsilyloxy-3-butyneSilane, trimethyl[(1-methyl-2-propynyl)oxy]-MFCD00190215Silane, trimethyl[(1-methyl-2-propyn-1-yl)oxy]-3-Butyn-2-ol, TMS derivative2-(Trimethylsilyloxy)-3-butyne
Show more names
TIMTEC-BB SBB0090593-(TRIMETHYLSILOXY)-1-BUTYNE3-(Trimethylsilyloxy)-1-butyne 97%3-(Trimethylsilyloxy)-1-butyne,97%2-TRIMETHYLSILYLOXY-3-BUTYNE, 97%,3-(Trimethylsiloxy)-3-methyl-1-propyne
2-(trimethyl-silyloxy)-but-3-ynetrimethyl(1-methylprop-2-ynoxy)silane2-Trimethylsilyloxybut-3-yneTRIMETHYL((1-METHYL-2-PROPYNYL)OXY)SILANESCHEMBL2192426DTXSID009391092-TRIMETHYLSILOXY-3-BUTYNEAKOS015915712

Database identifiers

CAS
17869-76-0
PubChem CID
28817
DTXSID
DTXSID00939109
EC Number
625-502-2
Nikkaji
J142.879I

Properties

Computed structural properties

Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
9
Formal charge
0
Complexity
126

Physicochemical properties

Melting point
127 · 127-131 °C(lit.)
Boiling point
116 °C · 116 °C
Density
0.818 g/mL · 0.818 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.405(lit.)
Flash point
42 °F · 42 °F
storage temp.
2 · 2-8°C
Specific Gravity
0.818 · 0.818
Sensitive
Moisture Sensitive
InChI
1S/C7H14OSi/c1-6-7(2)8-9(3,4)5/h1,7H,2-5H3
InChIKey
RMKACVRKUKSWNQ-UHFFFAOYSA-N
SMILES
CC(O[Si](C)(C)C)C#C
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Danger
Hazard statements
225 · H225-H315-H319-H335
Precautionary statements
210 · P210-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F,Xi
Risk Statements
11 · 11-36/37/38
Safety Statements
16 · 16-26
RIDADR
1993 · UN 1993 3/PG 2
WGK Germany
3 · 3
TSCA
No
HazardClass
3 · 3
HS Code
29310099 · 29310099
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

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 · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
No
ridadr
UN 1993 3/PG 2
hs_code
29310099
risk_code
11-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS07
hazard_code
F,Xi
safety_code
16-26
hazard_class
3
Storage Class
3 - Flammable liquids
target organs
Respiratory system
Hazard statements
H225-H315-H319-H335
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P210-P302+P352-P305+P351+P338

Chemistry & industry

Suppliers26 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
上海祈铭新材料有限公司021-36010885 13661599081;13701898138 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海探圭新材料科技有限公司18516111942 · [email protected]
上海石洋化工有限公司021-56795766 · [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]
Shanghai Enchem Industry Co., Ltd.15021317485
壮铭新材料科技江苏有限公司17312398916 051386936896 15216715905 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
徐州卓运新材料科技有限公司0516-0516 13776763863 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
苏州矽索新材料有限公司(生产型企业)0512-65402974 18550909935 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
海蔚化学86-21-51086038 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]

Related reactions

2 records
New reaction record
HRID 1262725 reaction equation
HRID 1262725As productuspto-grants-1984_06
HRID 2285668 reaction equation
HRID 2285668As productuspto-grants-1982_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes