3-クロロ-1,2-プロパンジオール

3-クロロ-1,2-プロパンジオール · グリセロールα-クロロヒドリン · 3-クロロ-1,2-プロピレングリコール · α-クロロヒドリン · グリセリンα-モノクロロヒドリン · α-クロログリセリン · 3-クロロプロパン-1,2-ジオール · グリセリン－α－モノクロロヒドリン

https://huagongshe.com/ja/chemical/7290

識別子と物理属性

CAS No.	96-24-2
分子式	C3H7ClO2
平均分子量	110.54 g/mol
単同位体質量	110.0134572 g/mol
SMILES	OCC(O)CCl
InChIKey	SSZWWUDQMAHNAQ-UHFFFAOYSA-N
PubChem CID	7290
ChEMBL	CHEMBL3185949
ChEBI	CHEBI:18721
EC No.	202-492-4
DTXSID	DTXSID4020664
現地名	3-クロロ-1,2-プロパンジオール

化学・物理的性質

XLogP	-0.5
極性表面積	40.5
水素結合供与体数	2
水素結合受容体数	2
回転可能結合数	2
重原子数	6
形式電荷	0
複雑度	32
LogP（分配係数）	-0.53 (estimated)
味	SWEETISH TASTE
密度	1.326 at 64 °F (NTP, 1992) - Denser than waterwill sink1.3218 @ 20 °C/4 °CRelative density (water = 1): 1.321.326 @25 °C1.322 g/mL at 25 °C(lit.)
Viscosity	2.388 poise at 20 °C182 mm²/s at 20 °C
Color/Form	Colorless or pale yellow liquidHeavy liquid
溶解度	greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)SOL IN WATER, ALCOHOL, & ETHERImmiscible with oilsSoluble in oxygenated solventsMiscible in water1000 mg/mL at 20 °CH2O: 可溶溶ける
引火点	138 °F (NTP, 1992)145 °C113 °C c.c.>230 °F
沸点	415 °F at 760 mmHg (decomposes) (NTP, 1992)213 °C (decomposes)at 1.9kPa: 114-120 °C213 °C(lit.)
Decomposition	213 °C
融点	-40 °F (NTP, 1992)-40 °C-40°C
蒸気密度	Relative vapor density (air = 1): 3.8
蒸気圧	3.75 mmHg at 77 °F (NTP, 1992)0.2 [mmHg]0.2 mm Hg at 20 °CVapor pressure, Pa at 20 °C: 270.2 [mm Hg] @20 °C0.04 mm Hg ( 25 °C)
屈折率	n20/D 1.480(lit.)
貯蔵条件	2-8°C
外観・状態	液体
pKa（酸解離定数）	13.28±0.20(Predicted)
色	澄んだ薄黄色
凝固点	-40℃
Merck	14,2145
BRN	635684
ヘンリー定数	1.6×102 mol/(m3Pa) at 25℃, HSDB (2015)
主な用途	洗浄剤化粧品食品および飲料パーソナルケア
InChI	1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
InChIKey	SSZWWUDQMAHNAQ-UHFFFAOYSA-N
SMILES	OCC(O)CCl
LogP（分配係数）	0.5 at 25℃
CAS データベース	96-24-2(CAS DataBase Reference)
NISTの化学物質情報	1,2-Propanediol, 3-chloro-(96-24-2)
EPAの化学物質情報	3-Chloro-1,2-propanediol (96-24-2)

化学的特性

Clear pale yellow liquid

安全性と法規制

GHS 分類	DangerH290 (14.4%): May be corrosive to metals [Warning Corrosive to Metals]H300 (81.1%): Fatal if swallowed [Danger Acute toxicity, oral]H301 (18.9%): Toxic if swallowed [Danger Acute toxicity, oral]H312 (83.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (69.2%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (74.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (18.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]H351 (88.1%): Suspected of causing cancer [Warning Carcinogenicity]H360 (96.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]H370 (65.7%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]H372 (70.6%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]P203, P234, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 201 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.Not Classified
規制情報	Chemical: 1,2-Propanediol, 3-chloro-Hazard Traits - CarcinogenicityAuthoritative List - IARC Carcinogens - 2BProp 65Report - regardless of intended function of ingredient in the productRegulation (EC) No 178/2002 (amended)1,2-Propanediol, 3-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propanediol, 3-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

GHS 分類

DangerH290 (14.4%): May be corrosive to metals [Warning Corrosive to Metals]H300 (81.1%): Fatal if swallowed [Danger Acute toxicity, oral]H301 (18.9%): Toxic if swallowed [Danger Acute toxicity, oral]H312 (83.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (69.2%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (74.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (18.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]H351 (88.1%): Suspected of causing cancer [Warning Carcinogenicity]H360 (96.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]H370 (65.7%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]H372 (70.6%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]P203, P234, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 201 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.Not Classified

規制情報

Chemical: 1,2-Propanediol, 3-chloro-Hazard Traits - CarcinogenicityAuthoritative List - IARC Carcinogens - 2BProp 65Report - regardless of intended function of ingredient in the productRegulation (EC) No 178/2002 (amended)1,2-Propanediol, 3-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propanediol, 3-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

用途

解説

炭素鎖の隣接する位置に塩素とヒドロキシ基とが置換した化合物．

用途

ダイナマイトの凝固点を下げる。染料中間体の製造。げっ歯類の不妊化剤。

使用

(±)-3-Chloro-1,2-propanediol may be used as a reference standard for the determination of (±)-3-chloro-1,2-propanediol in food samples by gas chromatography with mass spectrometric detection (GC-MS).

一般的な説明

A colorless liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.