CAS 3230-69-1 MFCD01709006-3-Methyl-1-Penten-4-yn-3-ol 3-甲基-1-戊烯-4-炔-3-醇 TAO{mole}

3-Methyl-1-Penten-4-yn-3-ol 3-甲基-1-戊烯-4-炔-3-醇

CAS 3230-69-1 MFCD01709006

化学结构图

SMILES: C#CC(C)(O)C=C

化学属性

Mol. Formula	C6H8O
Mol. Weight	96.13 g/mol
Refractive index	1.4440 to 1.4470
Boiling Point	63-65
Density	0.89
Flash Point	32°C(lit.)

别名和识别编码

Chemical Name	3-Methyl-1-Penten-4-yn-3-ol
Synonym	1-Vinyl-1-ethynyltehanol 2-Vinyl-3-butyn-2-ol 3-METHYL-1-PENTEN-4-YN-3-OL 3-Methyl pent-4-en-l-yn-3-0L 3-Methyl pent-4-en-l-yn-3-ol 3-Methyl-1-penten-4-yn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number	3230-69-1
PubChem Substance ID	97815
EC Number	221-770-6
MDL Number	MFCD01709006
Reaxys-RN	1740552
Beilstein Registry Number	1740552
Chemical Name Translation	3-甲基-1-戊烯-4-炔-3-醇
InChIKey	VBATUBQIYXCZPA-UHFFFAOYSA-N
Wiswesser Line Notation	1UU1XQ1&1U1
LabNetwork Molecule ID	LN00223817
InChI	InChI=1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3

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安全信息

GHS Symbol

WGK Germany1

Hazard Codes 3

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H302 Harmful if swallowed 吞食有害

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSSB4950000

Signal word Warning

UN Number 1987

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
P241+P242+P243
P242 Use only non-sparking tools. 只能使用无火花工具。
P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P301+P312
P301+P312+P330
P302+P352+P332+P313+P362+P364
P303+P361+P353
P305+P351+P338+P337+P313
P330 Rinse mouth. 漱口
P332+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Packing GroupIII

Hazard Class3

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 107,459,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 107,459,1953

其他信息

方法一:可用乙炔钙与甲基乙烯酮加成，生成2-乙炔基-1-乙烯基乙醇钙，然后经置换得到该品。
Acros Organics:3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol, 99%(3230-69-1)
MOL 文件:3230-69-1.mol
MSDS 信息:Ethynyl methyl vinyl carbinol(3230-69-1).msds
3-甲基-1-戊烯-4-炔-3-醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M1312 3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol 5ML 447元 2014/06/02 M1312 3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol 25ML 1360元
上游原料:丁烯酮 --> 乙醇钙
TCI Shanghai:3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol,>;98.0%(GC)(3230-69-1)
图谱信息:3-甲基-1-戊烯-4-炔-3-醇(3230-69-1)质谱(MS) 3-甲基-1-戊烯-4-炔-3-醇(3230-69-1)核磁图( 13 CNMR) 3-甲基-1-戊烯-4-炔-3-醇(3230-69-1)核磁图( 1 HNMR)
用途一:维生素A醋酸酯的中间体。
Sigma Aldrich:3230-69-1(sigmaaldrich)