76231-76-0
中文名稱
Α,Β-側(cè)柏酮
英文名稱
ALPHA+BETA-THUJONE
CAS
76231-76-0
分子式
C10H16O
分子量
152.23
MOL 文件
76231-76-0.mol
76231-76-0 結(jié)構(gòu)式
基本信息
中文別名
Α,Β-側(cè)柏酮Α,Β-側(cè)柏酮
Α,Β-側(cè)柏酮/GC
(-)-1-異丙基-4-甲基雙環(huán)[3.1.0]己-3-酮
英文別名
α,β-Thujoneβ-thujone, 2-10%
α-thujone, 90-98%
THUJONE, (alpha, beta)-(SG)
(1S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,5R)-
alpha,beta-Thujone technical, ~70% alpha-thujone basis, ~10% beta-thujone basis
物理化學(xué)性質(zhì)
沸點(diǎn)84-86 °C/17 mmHg (lit.)
密度0.925 g/mL at 25 °C (lit.)
折射率n20/D 1.455(lit.)
閃點(diǎn)64 °C
儲(chǔ)存條件2-8°C
溶解度Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly)
形態(tài)Oil
顏色Colourless
InChI1S/2C10H16O/c2*1-6(2)10-4-8(10)7(3)9(11)5-10/h2*6-8H,4-5H2,1-3H3/t7-,8+,10-;7-,8-,10+/m01/s1
InChIKeyAKPBIVZAUPVDMO-APEKEWONSA-N
SMILESCC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2.CC(C)[C@@]34C[C@@H]3[C@H](C)C(=O)C4
安全數(shù)據(jù)
危險(xiǎn)品標(biāo)志T
危險(xiǎn)類別碼23/24/25-36/37/38-42/43
危險(xiǎn)品運(yùn)輸編號(hào)UN 2810 6.1/PG 3
WGK Germany3
存儲(chǔ)類別6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
toxic compounds or compounds which causing chronic effects
危險(xiǎn)性類別Acute Tox. 4 Oral
毒害物質(zhì)數(shù)據(jù)76231-76-0(Hazardous Substances Data)